Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2109135 | 0.83 | AKR1B1 (0.63) | TAAR1AKR1B1KMT2ASLC22A12SMN1; SMN2 | |
| SCHEMBL2181281 | 0.83 | AKR1B1 (0.52) | TAAR1AKR1B1ADRA2AKMT2AMEN1 | |
| SCHEMBL6017700 | 0.81 | CAPN1 (0.40) | TAAR1AKR1B1ADRA2AKMT2AMEN1 | |
| SCHEMBL9524420 | 0.80 | TAAR1 (0.48) | TAAR1AKR1B1ADRA2AKMT2AMEN1 | |
| SCHEMBL1395814 | 0.80 | AKR1B1 (0.65) | TAAR1AKR1B1ADRA2AKMT2AMEN1 | |
| SCHEMBL2469838 | 0.79 | TAAR1 (0.55) | TAAR1LMNAHIF1ASMN1; SMN2ATM | |
| Hydrochloric Acid SCHEMBL5297667 | 0.78 | ADRA2A (0.65) | TAAR1AKR1B1ADRA2AKMT2AMEN1 | |
| SCHEMBL625342 | 0.77 | CYP2C9 (0.55) | AKR1B1ADRA2AKMT2AMEN1LMNA | |
| SCHEMBL673238 | 0.75 | TAAR1 (0.70) | TAAR1AKR1B1LMNASMN1; SMN2 | |
| SCHEMBL5067382 | 0.75 | TAAR1 (0.56) | TAAR1KMT2AMEN1SMN1; SMN2ATM |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005072733-A1 | DYARYLUREA COMPOUNDS AS CHK-1 INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-08-11 | — | — | WO | claimed |
| CN-106414448-B | It can be used as the new compound of S100- inhibitor | 活跃生物技术有限公司 | 2019-04-19 | — | — | CN | disclosed |
| US-9771372-B2 | Compounds useful as S100-inhibitors | ACTIVE BIOTECH AB (SE) | 2017-09-26 | — | — | US | disclosed |
| US-20170204098-A1 | NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS | ACTIVE BIOTECH AB (SE) | 2017-07-20 | — | — | US | disclosed |
| EP-2991990-B1 | NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS | ACTIVE BIOTECH AB (SE) | 2017-02-01 | — | — | EP | disclosed |
| EP-2991990-A1 | NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS | Active Biotech AB (SE) | 2016-03-09 | — | — | EP | disclosed |
| WO-2015177367-A1 | NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS | ACTIVE BIOTECH AB (SE) | 2015-11-26 | — | — | WO | disclosed |
| EP-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | disclosed |
| EP-1345603-A4 | (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS | MERCK & CO INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1345603-A1 | (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS | Merck & Co., Inc. (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002058695-A1 | (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS | MERCK & CO., INC. (US) | 2002-08-01 | — | — | 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 (1 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-20170204098-A1 | NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS | S100A9, S100A4, S100B | TAAR1 4029/4885AKR1B1 4742/4885ADRA2A 4709/4885 |
“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.