Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2213846 | 0.77 | ALDH1A1 (0.56) | TAAR1AHRTSHR | |
| SCHEMBL5682380 | 0.77 | AHR (0.45) | HSD17B10TAAR1MAOBAHRCYP1A2 | |
| SCHEMBL5682382 | 0.77 | AHR (0.45) | HSD17B10TAAR1MAOBAHRCYP1A2 | |
| SCHEMBL8325205 | 0.77 | AHR (0.45) | HSD17B10TAAR1MAOBAHRCYP1A2 | |
| SCHEMBL7708200 | 0.76 | HSD17B10 (0.48) | HSD17B10MAOBLMNACYP2A6AHR | |
| SCHEMBL4995492 | 0.76 | HSD17B10 (0.48) | HSD17B10MAOBLMNACYP2A6AHR | |
| SCHEMBL293565 | 0.76 | HSD17B10 (0.48) | HSD17B10MAOBLMNACYP2A6AHR | |
| SCHEMBL3650173 | 0.76 | TAAR1 (0.44) | TAAR1MAOBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL577389 | 0.75 | CYP2A6 (0.43) | TAAR1MAOBLMNACYP2A6HTR2A | |
| SCHEMBL8936182 | 0.73 | HSD17B10 (0.44) | HSD17B10MAOBLMNACYP2A6AHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 (2 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-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 | HSD17B10 3472/4885TAAR1 4387/4885MAOB 4016/4885 |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | CYP3A5, ABCG2, ABCB1 | HSD17B10 592/4885TAAR1 3587/4885MAOB 333/4885 |
“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.