Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.41 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.41 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 SCHEMBL10992437 | 0.99 | MAOA (0.43) | ABCB1KCNN2KCNN3KCNN1MAOA | |
| SCHEMBL10994941 | 0.99 | ABCB1 (0.42) | ABCB1KCNN2KCNN3KCNN1MAOA | |
| Hydrochloric Acid SCHEMBL10993157 | 0.97 | MAOA (0.44) | ABCB1KCNN2KCNN3KCNN1MAOA | |
| SCHEMBL10993273 | 0.92 | KCNN2 (0.44) | ABCB1KCNN2KCNN3KCNN1MAOA | |
| Hydrochloric Acid SCHEMBL10990748 | 0.91 | MAOA (0.46) | ABCB1KCNN2KCNN3KCNN1MAOA | |
| SCHEMBL10994063 | 0.86 | ABCB1 (0.55) | ABCB1MAOARAD52GAA | |
| Hydrochloric Acid SCHEMBL10990898 | 0.84 | ABCB1 (0.53) | ABCB1MAOARAD52GAA | |
| Hydrochloric Acid SCHEMBL10990889 | 0.84 | ABCB1 (0.53) | ABCB1MAOARAD52GAA | |
| SCHEMBL10992548 | 0.84 | HTR1A (0.45) | DRD2BCHEACHE | |
| SCHEMBL11553051 | 0.83 | ACHE (0.43) | ABCB1KCNN2KCNN3KCNN1MAOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4556656-A | HYPOTENSIVE, ANTIPSYCHOTIC, DIABETIC, AND ANALGESIC AGENTS | THE UPJOHN COMPANY (US) | 1985-12-03 | — | — | US | claimed |