Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.48 |
| ▸ | HTR2A | P28223 | 3/20 | 0.48 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3376828 | 0.81 | TAAR1 (0.50) | TAAR1HTR2AGABBR2GABBR1CHRNB2 | |
| SCHEMBL19062159 | 0.81 | LMNA (0.45) | MMP13CYP2C19 | |
| SCHEMBL27911507 | 0.79 | MMP13 (0.37) | TAAR1HTR2AHRH1MMP13CYP2C19 | |
| SCHEMBL15617700 | 0.79 | TRPA1 (0.47) | MMP13CYP2C19 | |
| SCHEMBL27732531 | 0.79 | SRC (0.53) | TAAR1HTR2AGABBR2GABBR1CHRNB2 | |
| SCHEMBL1663424 | 0.79 | SRC (0.53) | TAAR1HTR2AGABBR2GABBR1CHRNB2 | |
| SCHEMBL437154 | 0.79 | MMP13 (0.37) | TAAR1HTR2AHRH1MMP13CYP2C19 | |
| SCHEMBL8789009 | 0.79 | MMP13 (0.37) | TAAR1HTR2AHRH1MMP13CYP2C19 | |
| SCHEMBL9184436 | 0.79 | TAAR1 (0.48) | TAAR1HTR2AGABBR2GABBR1CHRNB2 | |
| SCHEMBL26136303 | 0.79 | TAAR1 (0.44) | TAAR1HTR2AGABBR2GABBR1CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0468470-B1 | Benzimidazoles, medicaments containing them and process for their preparation | THOMAE GMBH DR K (DE) | 1997-04-16 | — | — | EP | claimed |
| EP-2124913-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | Novartis AG (CH) | 2009-12-02 | — | — | EP | disclosed |
| CN-101386590-A | Pyrrolidone containing hydroxymethyl and carboxyl, preparation method and medicament composition and use thereof | INST MATERIA MEDICA CAMS (CN) | 2009-03-18 | — | — | CN | disclosed |
| WO-2008077597-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | NOVARTIS AG (CH) | 2008-07-03 | — | — | WO | disclosed |
| US-5684029-A | HYPOTENSIVE AGENTS | KARL THOMAE GMBH (DE) | 1997-11-04 | — | — | US | disclosed |
| US-5587393-A | ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION | DR. KARL THOMAE GMBH (DE) | 1996-12-24 | — | — | US | disclosed |
| US-5385925-A | Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them | DR. KARL THOMAE GMBH (DE) | 1995-01-31 | — | — | US | disclosed |
| US-5280027-A | Quinazoline containing compound | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-01-18 | — | — | US | disclosed |
| EP-0459730-A2 | Anti-tumour compounds | ZENECA LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |