Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESRRG | P62508 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.30 |
| ▸ | HTR3B | O95264 | 3/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.30 |
| ▸ | HTR3A | P46098 | 3/20 | 0.30 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.30 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7232207 | 0.91 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3HPGDNPC1 | |
| SCHEMBL7224995 | 0.91 | CHRNA7 (0.34) | SLC6A2SLC6A4SLC6A3ALDH1A1HPGD | |
| SCHEMBL7234021 | 0.91 | SLC6A3 (0.39) | SLC6A2SLC6A4SLC6A3ALDH1A1HPGD | |
| SCHEMBL7231965 | 0.91 | CHRNA7 (0.36) | HSD17B1HSD17B2HTR3EHTR3BCHRNA7 | |
| Hydrochloric Acid SCHEMBL7231366 | 0.90 | SLC6A3 (0.38) | SLC6A2SLC6A4SLC6A3ALDH1A1HPGD | |
| SCHEMBL7233055 | 0.89 | HPGD (0.36) | HSD17B1HSD17B2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7231256 | 0.89 | CHRNB2 (0.35) | HSD17B1HSD17B2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7232565 | 0.89 | EPHX2 (0.35) | ESRRGSLC6A2SLC6A4SLC6A3NPC1 | |
| SCHEMBL7231859 | 0.89 | HDAC3 (0.34) | SLC6A2SLC6A4SLC6A3ALDH1A1HPGD | |
| SCHEMBL7231140 | 0.89 | DHODH (0.34) | SLC6A2SLC6A4SLC6A3CHRNA7HTR3A |
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 |