Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7225714 | 0.89 | PDE7A (0.50) | NPC1RAB9APDE7AALDH1A1MAPT | |
| SCHEMBL7230433 | 0.87 | NPC1 (0.63) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL7232072 | 0.86 | HTT (0.48) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL7224287 | 0.86 | NPC1 (0.62) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL7224672 | 0.84 | S1PR4 (0.49) | ALDH1A1MAPTKDM4EPOLBHPGD | |
| SCHEMBL7226254 | 0.80 | NPC1 (0.59) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL7224388 | 0.79 | NPC1 (0.46) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL7231981 | 0.79 | NPC1 (0.58) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL7224441 | 0.79 | RAB9A (0.38) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL7222616 | 0.79 | ALDH1A1 (0.61) | NPC1RAB9AALDH1A1MAPTPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | claimed |
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | disclosed |