Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 11/20 | 0.65 |
| ▸ | HTR2A | P28223 | 2/20 | 0.56 |
| ▸ | DRD2 | P14416 | 4/20 | 0.55 |
| ▸ | DRD3 | P35462 | 2/20 | 0.55 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL9208095 | 0.99 | HTR1A (0.64) | HTR1AHTR2ADRD2DRD3ABCC1 | |
| SCHEMBL9213179 | 0.84 | HTR2A (0.60) | HTR1AHTR2ADRD2DRD3ABCC1 | |
| Hydrochloric Acid SCHEMBL9214057 | 0.83 | HTR2A (0.58) | HTR1AHTR2ADRD2DRD3ABCC1 | |
| SCHEMBL9205998 | 0.81 | HTR2A (0.56) | HTR1AHTR2ADRD2DRD3ABCC1 | |
| Hydrochloric Acid SCHEMBL9207142 | 0.80 | HTR2A (0.55) | HTR1AHTR2ADRD2DRD3ABCC1 | |
| SCHEMBL6358114 | 0.80 | HTR1A (0.72) | HTR1AHTR7 | |
| SCHEMBL16432074 | 0.79 | HTR1A (1.00) | HTR1A | |
| SCHEMBL6465788 | 0.79 | HTR2A (0.88) | HTR1AHTR2ADRD2DRD3ABCC1 | |
| SCHEMBL16433151 | 0.78 | HTR1A (1.00) | HTR1A | |
| SCHEMBL9211981 | 0.77 | HTR1A (0.67) | HTR1AHTR2ADRD2HTR7HTR6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0345808-B1 | 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines | BRISTOL MYERS SQUIBB CO (US) | 1995-01-11 | — | — | EP | claimed |
| US-4954502-A | Antidepressants | BRISTOL-MYERS SQUIBB COMPANY (US) | 1990-09-04 | — | — | US | claimed |
| EP-0345808-A1 | 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines | Bristol-Myers Squibb Company (US) | 1989-12-13 | — | — | EP | claimed |