Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 3/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 9/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.48 |
| ▸ | NQO2 | P16083 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8806792 | 0.88 | TRPV1 (0.53) | TRPV1MTNR1ALTA4HPLA2G2AFAAH | |
| SCHEMBL8807001 | 0.87 | TRPV1 (0.53) | TRPV1MTNR1ALTA4HPLA2G2AFAAH | |
| SCHEMBL8113405 | 0.87 | TRPV1 (0.53) | TRPV1MTNR1ALTA4HPLA2G2AFAAH | |
| SCHEMBL8786780 | 0.86 | FAAH (0.52) | TRPV1MTNR1ALTA4HPLA2G2AFAAH | |
| Trimethylammonium SCHEMBL8321230 | 0.85 | MTNR1A (0.65) | TRPV1MTNR1AFAAHMTNR1BCYP1A2 | |
| SCHEMBL8613795 | 0.83 | TRPV1 (0.55) | TRPV1MTNR1AFAAHMTNR1BCYP1A2 | |
| SCHEMBL798165 | 0.83 | TRPV1 (0.70) | TRPV1CYP1A2NOTUMNQO2KDM4E | |
| SCHEMBL31077788 | 0.83 | TRPV1 (0.70) | TRPV1CYP1A2NOTUMNQO2KDM4E | |
| SCHEMBL9448768 | 0.82 | TRPM8 (0.54) | TRPV1MTNR1ALTA4HPLA2G2AFAAH | |
| SCHEMBL2544150 | 0.82 | HPGD (0.55) | TRPV1MTNR1AFAAHMTNR1BCYP1A2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0640085-B1 | FUSED IMIDAZOLE AND TRIAZOLE DERIVATIVES AS 5-HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME (GB) | 1999-03-24 | — | — | EP | disclosed |
| EP-0497512-B1 | Imidazole, triazole and tetrazole derivatives | MERCK SHARP & DOHME (GB) | 1997-09-24 | — | — | EP | disclosed |
| EP-0501568-B1 | Substituted cyclic sulphamide derivatives | MERCK SHARP & DOHME (GB) | 1997-08-20 | — | — | 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-5602162-A | TREATMENT AND/OR PREVENTION OF MIGRAINE | MERCK, SHARP & DOHME LTD. (GB) | 1997-02-11 | — | — | US | disclosed |
| US-5514682-A | HEADACHE | MERCK SHARP & DOHME LIMITED (GB) | 1996-05-07 | — | — | 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 |
| US-5194440-A | Treatment for migraine; selective agonist | MERCK SHARP & DOHME LTD. (GB) | 1993-03-16 | — | — | US | disclosed |
| EP-0501568-A1 | Substituted cyclic sulphamide derivatives | MERCK SHARP & DOHME LTD. (GB) | 1992-09-02 | — | — | EP | disclosed |
| EP-0497512-A2 | Imidazole, triazole and tetrazole derivatives | MERCK SHARP & DOHME LTD. (GB) | 1992-08-05 | — | — | EP | disclosed |