Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.51 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.51 |
| ▸ | PYGL | P06737 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27024206 | 0.88 | KDM4E (0.45) | CCKBRPYGLKDM4EALDH1A1HSD17B10 | |
| SCHEMBL20320735 | 0.87 | TRPM8 (0.51) | CCKBRKDM4EHSD17B10MAPTDAO | |
| SCHEMBL20305318 | 0.87 | TRPM8 (0.51) | CCKBRKDM4EHSD17B10MAPTDAO | |
| SCHEMBL20320916 | 0.86 | KDM4E (0.43) | CCKBRTP53NCOA1NCOA3PYGL | |
| SCHEMBL20320995 | 0.86 | KDM4E (0.47) | CCKBRPYGLKDM4EALDH1A1HSD17B10 | |
| SCHEMBL20321010 | 0.86 | KDM4E (0.47) | CCKBRPYGLKDM4EALDH1A1HSD17B10 | |
| SCHEMBL20321191 | 0.86 | KDM4E (0.47) | CCKBRPYGLKDM4EALDH1A1HSD17B10 | |
| SCHEMBL26004642 | 0.85 | KDM4E (0.42) | CCKBRTP53NCOA1NCOA3PYGL | |
| SCHEMBL26004678 | 0.84 | CCKBR (0.41) | CCKBRTP53NCOA1NCOA3PYGL | |
| SCHEMBL20320822 | 0.84 | TP53 (0.48) | CCKBRTP53NCOA1NCOA3KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-4306166-A2 | COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Aquinnah Pharmaceuticals Inc. (US) | 2024-01-17 | — | — | EP | disclosed |
| EP-3557998-B1 | COMPOUNS, COMPOSITIONS AND METHODS OF USE | AQUINNAH PHARMACEUTICALS INC (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2018119395-A1 | COMPOUNS, COMPOSITIONS AND METHODS OF USE | AQUINNAH PHARMACEUTICALS, INC. (US) | 2018-06-28 | — | — | WO | disclosed |
| EP-0983244-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998050364-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 1998-11-12 | — | — | WO | disclosed |