Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.40 |
| ▸ | HTR2C | P28335 | 5/20 | 0.40 |
| ▸ | HTR2B | P41595 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 3/20 | 0.35 |
| ▸ | HTR1D | P28221 | 3/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR1E | P28566 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | MPO | P05164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8978758 | 0.79 | HTR2A (0.36) | HTR2AHTR2CHTR2BCYP2D6GPR84 | |
| SCHEMBL8823947 | 0.76 | NQO2 (0.41) | HTR2AHTR2CHTR2BGPR84SLC6A4 | |
| SCHEMBL9938181 | 0.76 | HTR2A (0.38) | HTR2AHTR2CHTR2BGPR84SLC6A4 | |
| SCHEMBL27456398 | 0.73 | HTR2C (0.34) | HTR2AHTR2CHTR2BCYP2D6GPR84 | |
| SCHEMBL8978632 | 0.72 | HTR2C (0.33) | HTR2AHTR2CHTR2BCYP2D6GPR84 | |
| SCHEMBL8978738 | 0.69 | HPGD (0.64) | HTR2AHTR2CHTR2BCYP2D6SLC6A4 | |
| SCHEMBL8546926 | 0.69 | HTR2C (0.62) | HTR2AHTR2CHTR2BCYP2D6HTR1A | |
| SCHEMBL16540125 | 0.69 | SLC6A4 (0.67) | HTR2AHTR2CHTR2BGPR84SLC6A4 | |
| SCHEMBL26451454 | 0.69 | HTR2C (0.43) | HTR2AHTR2CHTR2BCYP2D6HTR1A | |
| SCHEMBL11493969 | 0.68 | HTR2A (0.54) | HTR2AHTR2CHTR2BCYP2D6HTR1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1063177-C | Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | BRISTOL MYERS SQUIBB CO (US) | 2001-03-14 | — | — | CN | disclosed |
| US-5618816-A | Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridnyl and pyrimidinylpiperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-04-08 | — | — | US | disclosed |
| CN-1138042-A | Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | BRISTOL MYERS SQUIBB CO (US) | 1996-12-18 | — | — | CN | disclosed |
| EP-0729958-A2 | Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinyl-piperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5521188-A | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0645385-A1 | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | Bristol-Myers Squibb Company (US) | 1995-03-29 | — | — | EP | disclosed |