Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 9/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | GSR | P00390 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8881145 | 0.91 | MAOA (0.38) | MAOAMAOBTRPA1 | |
| SCHEMBL29906826 | 0.76 | MAOA (0.59) | MAOAMAOBTRPA1SRD5A2MTNR1A | |
| SCHEMBL1067727 | 0.76 | MAOA (0.59) | MAOAMAOBTRPA1SRD5A2MTNR1A | |
| SCHEMBL7334826 | 0.76 | TRPA1 (0.38) | MAOAMAOBTRPA1TSHR | |
| SCHEMBL5026786 | 0.74 | TRPA1 (0.46) | MAOAMAOBTRPA1 | |
| SCHEMBL20613152 | 0.74 | TRPA1 (0.48) | MAOAMAOBTRPA1TSHR | |
| SCHEMBL6273946 | 0.73 | MAOA (0.47) | MAOAMAOBTRPA1SRD5A2MTNR1A | |
| SCHEMBL7500741 | 0.72 | MAOA (0.44) | MAOAMAOBTRPA1SRD5A2MTNR1A | |
| SCHEMBL27562448 | 0.71 | MAOA (0.46) | MAOAMAOBTRPA1SRD5A2MTNR1A | |
| Biphenyl SCHEMBL27655126 | 0.71 | MAOA (0.59) | MAOAMAOBTRPA1SRD5A2MTNR1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2638017-A1 | CRYSTALLINE FORMS OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID | Theravance, Inc. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012064807-A1 | CRYSTALLINE FORMS OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID | THERAVANCE, INC. (US) | 2012-05-18 | — | — | WO | disclosed |
| US-5679671-A | ANGIOTENSIN 1-CONVERTING ENZYME INHIBITOR, VASOPRESSIN ANTAGONISM AND ATRIAL NAUTRIURETIC PEPTIDE HYDROLASE INHIBITOR | EISAI CO., LTD. (JP) | 1997-10-21 | — | — | US | disclosed |
| US-5529995-A | Aminoacetylmercapto derivatives useful as inhibitors of enkephalinase and ACE | MERRELL DOW PHARMACEUTICALS INC. (US) | 1996-06-25 | — | — | US | disclosed |