Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2737147 | 0.95 | SLC6A3 (0.50) | SLC6A4SLC6A3SLC6A2CYP3A4ALOX15 | |
| SCHEMBL12596028 | 0.93 | SLC6A4 (0.53) | SLC6A4SLC6A3SLC6A2CCR2EPHX2 | |
| SCHEMBL435094 | 0.90 | SLC6A4 (0.44) | SLC6A4SLC6A3SLC6A2CCR2LMNA | |
| Hydrochloric Acid SCHEMBL29020111 | 0.86 | OPRM1 (0.42) | SLC6A4SLC6A3SLC6A2CYP3A4ALOX15 | |
| SCHEMBL17807530 | 0.80 | ALDH1A1 (0.41) | SLC6A4SLC6A3SLC6A2ALDH1A1DRD2 | |
| SCHEMBL655680 | 0.80 | DRD2 (0.60) | SLC6A4SLC6A3SLC6A2CYP3A4CCR2 | |
| SCHEMBL10602015 | 0.79 | ESR1 (0.42) | SLC6A4SLC6A3SLC6A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL23858321 | 0.79 | DRD2 (0.58) | SLC6A4SLC6A3SLC6A2CYP3A4CCR2 | |
| SCHEMBL13452620 | 0.79 | OPRM1 (0.57) | ALDH1A1LMNAMAPTDRD2HSD11B1 | |
| SCHEMBL8297897 | 0.78 | MAOB (0.40) | SLC6A4SLC6A3SLC6A2OPRK1KCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | claimed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | claimed |
| EP-1732919-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2006-12-20 | — | — | EP | claimed |
| US-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | CHIRON CORPORATION (US) | 2005-11-17 | — | — | US | claimed |
| WO-2005095386-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2005-10-13 | — | — | WO | claimed |
| WO-2017127930-A1 | SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS | NEOMED INSTITUTE (CA) | 2017-08-03 | — | — | WO | disclosed |
| US-9206173-B2 | Heterocyclic compounds for the treatment of stress-related conditions | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-12-08 | — | — | US | disclosed |
| US-9206173-B2 | Heterocyclic compounds for the treatment of stress-related conditions | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-12-08 | — | — | US | disclosed |
| EP-2435046-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | OTSUKA PHARMA CO LTD (JP) | 2013-09-04 | — | — | EP | disclosed |
| WO-2013020245-A1 | CARBONYL DERIVATIVES OF BETULIN | GLAXOSMITHKLINE LLC (US) | 2013-02-14 | — | — | WO | disclosed |
| US-20120065189-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-15 | — | — | US | disclosed |
| US-20120065189-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-15 | — | — | US | disclosed |
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | disclosed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| WO-2008047883-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-04-24 | — | — | WO | disclosed |
| US-20070167440-A1 | Novel pyrrolidine compound and a process for preparing the same | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-07-19 | — | — | US | disclosed |
| US-20070167440-A1 | Novel pyrrolidine compound and a process for preparing the same | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-07-19 | — | — | US | disclosed |
| EP-1732919-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2006-12-20 | — | — | EP | disclosed |
| US-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | CHIRON CORPORATION (US) | 2005-11-17 | — | — | US | disclosed |
| WO-2005095386-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2005-10-13 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070167440-A1 | Novel pyrrolidine compound and a process for preparing the same | CNR1, CNR2, OPRD1 | SLC6A4 2003/4885SLC6A3 1929/4885SLC6A2 3000/4885 |
| US-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | MALT1, AKT1, PIK3CA | SLC6A4 2898/4885SLC6A3 3245/4885SLC6A2 3042/4885 |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | CYP3A5, ABCG2, ABCB1 | SLC6A4 166/4885SLC6A3 286/4885SLC6A2 162/4885 |
| US-20120065189-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | NR3C1, NR3C2, CRH | SLC6A4 469/4885SLC6A3 603/4885SLC6A2 281/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.