Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.57 |
| ▸ | FYN | P06241 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA3 | P07451 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 2/20 | 0.47 |
| ▸ | CA6 | P23280 | 2/20 | 0.47 |
| ▸ | CA5A | P35218 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | FABP4 | P15090 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7801303 | 0.87 | KDM4E (0.63) | LCKFYNKDM4ENPSR1CA12 | |
| SCHEMBL10721823 | 0.85 | LCK (0.59) | LCKFYNKDM4ENPSR1CA12 | |
| SCHEMBL8573435 | 0.85 | CA12 (0.67) | LCKFYNKDM4ENPSR1CA12 | |
| SCHEMBL8846922 | 0.84 | KDM4E (0.52) | LCKFYNKDM4ENPSR1ALDH1A1 | |
| SCHEMBL10721874 | 0.84 | KDM4E (0.52) | LCKFYNKDM4ENPSR1CA12 | |
| SCHEMBL5835283 | 0.83 | TRPV4 (0.50) | LCKFYNKDM4ENPSR1ALDH1A1 | |
| SCHEMBL31658274 | 0.83 | TRPV4 (0.50) | LCKFYNKDM4ENPSR1ALDH1A1 | |
| SCHEMBL21545354 | 0.83 | KDM4E (0.51) | LCKFYNKDM4ENPSR1ALDH1A1 | |
| SCHEMBL8572725 | 0.83 | LCK (0.56) | LCKFYNKDM4ENPSR1CA12 | |
| SCHEMBL7441007 | 0.83 | LCK (0.56) | LCKFYNKDM4ENPSR1CA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5849796-A | Ortho-substituted benzoil acid derivatives | MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-12-15 | — | — | US | disclosed |
| EP-0832064-A1 | 5-AMINOALKYL-2-(2-ALKOXYPHENYL)-PYRROLE DERIVATIVES HAVING AFFINITY FOR DOPAMINE D3 RECEPTORS AND THEIR USE IN THE TREATMENT OF PSYCHOSES | SMITHKLINE BEECHAM PLC (GB) | 1998-04-01 | — | — | EP | disclosed |
| WO-1997000243-A1 | 5-AMINOALKYL-2-(2-ALKOXYPHENYL)-PYRROLE DERIVATIVES HAVING AFFINITY FOR DOPAMINE D3 RECEPTORS AND THEIR USE IN THE TREATMENT OF PSYCHOSES | SMITHKLINE BEECHAM PLC (GB) | 1997-01-03 | — | — | WO | disclosed |
| EP-0704431-A2 | Ortho-substituted benzoic acid derivatives | MERCK PATENT GmbH (DE) | 1996-04-03 | — | — | EP | disclosed |
| US-4673686-A | CNS MODIFIERS, ANTI-APOMORPHINE ANTIENETIC ACITIVTY/ | SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLE DE L'ILE DE FRANCE (FR) | 1987-06-16 | — | — | US | disclosed |