Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | HTR2C | P28335 | 4/20 | 0.55 |
| ▸ | HTR2A | P28223 | 6/20 | 0.54 |
| ▸ | HTR1A | P08908 | 3/20 | 0.54 |
| ▸ | HTR1D | P28221 | 3/20 | 0.54 |
| ▸ | HTR7 | P34969 | 3/20 | 0.54 |
| ▸ | HTR2B | P41595 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | HTR1B | P28222 | 2/20 | 0.54 |
| ▸ | HTR5A | P47898 | 2/20 | 0.54 |
| ▸ | HTR6 | P50406 | 2/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.54 |
| ▸ | HTR3B | O95264 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | HTR1E | P28566 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3878356 | 0.90 | HTR2C (0.68) | HPGDCYP2C19HTR2CHTR2AHTR1A | |
| SCHEMBL7002884 | 0.90 | HPGD (0.67) | HPGDCYP2C19HTR2CHTR2AHTR1A | |
| SCHEMBL14160299 | 0.84 | HTR1A (0.65) | HPGDCYP2C19HTR2AHTR1AHTR1D | |
| SCHEMBL2847185 | 0.83 | HTR1D (0.70) | HPGDCYP2C19HTR2CHTR2AHTR1A | |
| SCHEMBL8544422 | 0.83 | HPGD (0.58) | HPGDCYP2C19HTR2CHTR2AHTR1A | |
| Hydrochloric Acid SCHEMBL27517910 | 0.83 | HTR1A (0.68) | HPGDCYP2C19HTR2CHTR2AHTR1A | |
| SCHEMBL8630044 | 0.81 | HTR1A (0.56) | HTR2CHTR2AHTR1AHTR1DHTR7 | |
| SCHEMBL891985 | 0.81 | SLC6A4 (0.67) | HTR2CHTR2AHTR1AHTR1DHTR7 | |
| SCHEMBL4352009 | 0.81 | MPO (0.74) | HTR2AHTR1AMPOSLC6A4TRPM8 | |
| SCHEMBL8261013 | 0.81 | SLC6A4 (0.67) | HTR2CHTR2AHTR1AHTR1DHTR7 |
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-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 |