Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.66 |
| ▸ | HTR2C | P28335 | 2/20 | 0.66 |
| ▸ | HTR2B | P41595 | 2/20 | 0.66 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL19977011 | 0.85 | GPR84 (0.73) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL1248753 | 0.83 | HTR2A (0.76) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL23760580 | 0.82 | HTR2A (0.56) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL21324414 | 0.82 | GPR84 (0.64) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL10759703 | 0.81 | HTR2A (0.59) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL10070049 | 0.81 | HTR2A (0.72) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL12671700 | 0.81 | HTR2A (0.72) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL12671597 | 0.81 | HTR2A (0.72) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL29045649 | 0.81 | GPR84 (0.61) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL17540815 | 0.81 | GPR84 (0.62) | HTR2AHTR2CHTR2BGPR84FFAR1 |
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 | disclosed |
| US-4954502-A | Antidepressants | BRISTOL-MYERS SQUIBB COMPANY (US) | 1990-09-04 | — | — | US | disclosed |
| EP-0345808-A1 | 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines | Bristol-Myers Squibb Company (US) | 1989-12-13 | — | — | EP | disclosed |