Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | LIG1 | P18858 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7225800 | 0.99 | PKM (0.41) | PKMLIG1SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL7231162 | 0.86 | NPC1 (0.43) | SLC6A3SLC6A4SLC6A2NPC1RAB9A | |
| SCHEMBL7232207 | 0.84 | SLC6A2 (0.39) | SLC6A3SLC6A4SLC6A2NPC1RAB9A | |
| SCHEMBL7231965 | 0.84 | CHRNA7 (0.36) | — | |
| SCHEMBL7231963 | 0.84 | ESR1 (0.37) | SLC6A3SLC6A4SLC6A2NPC1RAB9A | |
| SCHEMBL7224323 | 0.84 | MEN1 (0.38) | RAB9ASMN1; SMN2 | |
| SCHEMBL7223510 | 0.84 | NPC1 (0.52) | SLC6A3SLC6A4SLC6A2NPC1RAB9A | |
| SCHEMBL7223199 | 0.84 | HDAC6 (0.40) | SLC6A3SLC6A4SLC6A2NPC1RAB9A | |
| SCHEMBL7233475 | 0.83 | SLC6A3 (0.35) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL7233055 | 0.82 | HPGD (0.36) | SLC6A3SLC6A4SLC6A2HPGDALDH1A1 |
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 |