Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.31 |
| ▸ | CES2 | O00748 | 2/20 | 0.30 |
| ▸ | CES1 | P23141 | 2/20 | 0.30 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL7331135 | 0.72 | AKR1B1 (0.41) | ALDH1A1TSHRALOX15CES2CES1 | |
| SCHEMBL5026780 | 0.70 | — | — | |
| SCHEMBL26654584 | 0.67 | KDM4E (0.33) | ALDH1A1KDM4ECA2 | |
| SCHEMBL8022206 | 0.61 | ALDH1A1 (0.46) | ALDH1A1NAPRTDAOTSHRALOX15 | |
| SCHEMBL462176 | 0.56 | CYP2A6 (0.31) | — | |
| Benzoic Acid SCHEMBL434647 | 0.55 | TSHR (0.88) | ALDH1A1NAPRTDAOTSHRALOX15 | |
| Phthalic Acid SCHEMBL8469962 | 0.55 | ALDH1A1 (0.88) | ALDH1A1NAPRTDAOTSHRALOX15 | |
| Benzoic Acid SCHEMBL1522973 | 0.55 | TSHR (0.88) | ALDH1A1NAPRTDAOTSHRALOX15 | |
| Benzoic Acid SCHEMBL20574965 | 0.55 | TSHR (0.88) | ALDH1A1NAPRTDAOTSHRALOX15 | |
| Phthalic Acid SCHEMBL2574281 | 0.55 | ALDH1A1 (0.88) | ALDH1A1NAPRTDAOTSHRALOX15 |
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 |