Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.35 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.33 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4007835 | 0.68 | ALDH1A1 (0.43) | ALDH1A1MAPTKDM4EF2RL3NPC1 | |
| SCHEMBL5322053 | 0.66 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MAPTKDM4EL3MBTL1 | |
| SCHEMBL13233407 | 0.65 | ESR1 (0.55) | ALDH1A1HPGDCYP3A4MAPTF2RL3 | |
| SCHEMBL5326185 | 0.65 | AR (0.43) | — | |
| SCHEMBL18133386 | 0.64 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4EHSD17B10L3MBTL1 | |
| SCHEMBL1558708 | 0.63 | CA1 (0.46) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL3223322 | 0.63 | CYP1A2 (0.41) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL5322067 | 0.63 | PDE4A (0.50) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL5326536 | 0.62 | ERN1 (0.40) | ALDH1A1HPGDMAPTKDM4EHSD17B10 | |
| SCHEMBL5321545 | 0.62 | PTGS2 (0.46) | ALDH1A1HPGDMAPTKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | claimed |
| JP-2006501194-A | — | — | 2006-01-12 | — | — | JP | claimed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | claimed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | claimed |