Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | HTR1D | P28221 | 7/20 | 0.47 |
| ▸ | HTR1B | P28222 | 7/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | GABRP | O00591 | 1/20 | 0.45 |
| ▸ | GABRD | O14764 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7831800 | 0.92 | HTR1A (0.57) | HTR1AHTR2CKDM4EATMHTR1D | |
| SCHEMBL7835841 | 0.84 | HTR1A (0.58) | HTR1AHTR2CHTR1DHTR1BCYP1A2 | |
| SCHEMBL8783976 | 0.81 | HTR1A (0.53) | HTR1AHTR2CKDM4EATMHTR1D | |
| SCHEMBL8784108 | 0.81 | GABRP (0.58) | HTR1AHTR2CKDM4EATMHTR1D | |
| SCHEMBL27343955 | 0.80 | HTR1A (0.53) | HTR1AHTR2CHTR1DHTR1BHTR1F | |
| SCHEMBL8784390 | 0.80 | HTR1D (0.53) | HTR1AKDM4EATMHTR1DHTR1B | |
| SCHEMBL8508032 | 0.79 | KDM4E (0.64) | HTR1AKDM4EATMHTR1DHTR1B | |
| SCHEMBL9269516 | 0.78 | KDM4E (0.62) | HTR1AKDM4EATMHTR1DHTR1B | |
| SCHEMBL8784644 | 0.77 | HTR1D (0.53) | HTR1AHTR2CKDM4EATMHTR1D | |
| SCHEMBL8784389 | 0.76 | KDM4E (0.54) | HTR1AKDM4EATMHTR1DHTR1B |
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 10 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 |
| 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 |
| EP-0497512-A2 | Imidazole, triazole and tetrazole derivatives | MERCK SHARP & DOHME LTD. (GB) | 1992-08-05 | — | — | EP | disclosed |