Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.58 |
| ▸ | HTR2C | P28335 | 7/20 | 0.58 |
| ▸ | HTR1D | P28221 | 2/20 | 0.49 |
| ▸ | HTR1B | P28222 | 2/20 | 0.49 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.47 |
| ▸ | SSTR4 | P31391 | 3/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8784127 | 0.82 | HTR1A (0.76) | HTR1AHTR2CHTR1DHTR1BHTR2A | |
| SCHEMBL8784010 | 0.80 | HTR1A (0.50) | HTR1AHTR2CTRPM8LTA4HPLA2G2A | |
| SCHEMBL31371849 | 0.79 | HTR1A (0.67) | HTR1AHTR2CHTR1DHTR1BTRPM8 | |
| SCHEMBL8746127 | 0.79 | HTR1A (0.67) | HTR1AHTR2CHTR1DHTR1BTRPM8 | |
| SCHEMBL8784321 | 0.79 | HTR1A (0.58) | HTR1AHTR2CHTR1DHTR1BTRPM8 | |
| SCHEMBL8746058 | 0.75 | HTR1A (0.68) | HTR1AHTR2CHTR1DHTR1BTRPM8 | |
| SCHEMBL8786045 | 0.74 | HTR1A (0.88) | HTR1AHTR2C | |
| SCHEMBL8785674 | 0.74 | HTR1A (0.88) | HTR1AHTR2C | |
| SCHEMBL8784514 | 0.74 | HTR1A (1.00) | HTR1AHTR2CHTR1DHTR1BHTR2A | |
| SCHEMBL4405605 | 0.72 | HDAC6 (0.68) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0497512-B1 | Imidazole, triazole and tetrazole derivatives | MERCK SHARP & DOHME (GB) | 1997-09-24 | — | — | EP | claimed |
| EP-0778275-A1 | Process for the preparation of imidazole, triazole and tetrazole derivatives and their use as selective 5-HT-1 receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 1997-06-11 | — | — | EP | claimed |
| EP-0497512-A2 | Imidazole, triazole and tetrazole derivatives | MERCK SHARP & DOHME LTD. (GB) | 1992-08-05 | — | — | EP | claimed |
| JP-5140151-A | — | — | None | — | — | JP | disclosed |
| EP-0497512-B1 | Imidazole, triazole and tetrazole derivatives | MERCK SHARP & DOHME (GB) | 1997-09-24 | — | — | EP | disclosed |
| EP-0778275-A1 | Process for the preparation of imidazole, triazole and tetrazole derivatives and their use as selective 5-HT-1 receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 1997-06-11 | — | — | EP | disclosed |
| US-5602163-A | SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE HEADACHES | MERCK, SHARP & DOHME LTD. (GB) | 1997-02-11 | — | — | US | disclosed |
| US-5602162-A | TREATMENT AND/OR PREVENTION OF MIGRAINE | MERCK, SHARP & DOHME LTD. (GB) | 1997-02-11 | — | — | US | disclosed |
| US-5451588-A | Treatment of migraines | MERCK SHARP & DOHME LTD. (GB) | 1995-09-19 | — | — | US | disclosed |
| US-5298520-A | Triazole containing indole derivatives | MERCK SHARP & DOHME LIMITED (GB) | 1994-03-29 | — | — | US | disclosed |
| JP-H05140151-A | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD | 1993-06-08 | — | — | JP | disclosed |
| EP-0497512-A2 | Imidazole, triazole and tetrazole derivatives | MERCK SHARP & DOHME LTD. (GB) | 1992-08-05 | — | — | EP | disclosed |