Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28474964 | 0.80 | LDHA (0.45) | CYP1A2ALOX5SMN1; SMN2CES2CES1 | |
| SCHEMBL11212918 | 0.78 | CYP1A2 (0.44) | CYP1A2ALOX5SMN1; SMN2CES2CES1 | |
| SCHEMBL7343000 | 0.77 | CYP2D6 (0.46) | CES2CES1 | |
| SCHEMBL4146178 | 0.77 | CYP1A2 (0.57) | CYP1A2ALOX5SMN1; SMN2CES2CES1 | |
| SCHEMBL5559079 | 0.76 | CYP1A2 (0.55) | CYP1A2ALOX5SMN1; SMN2CES2CES1 | |
| SCHEMBL12280124 | 0.76 | CYP1A2 (0.55) | CYP1A2ALOX5SMN1; SMN2CES2CES1 | |
| SCHEMBL5778110 | 0.76 | CYP1A2 (0.55) | CYP1A2ALOX5SMN1; SMN2CES2CES1 | |
| SCHEMBL3993015 | 0.74 | CYP1A2 (0.53) | CYP1A2ALOX5SMN1; SMN2CES2CES1 | |
| SCHEMBL6859146 | 0.74 | CYP1A2 (0.53) | CYP1A2ALOX5SMN1; SMN2CES2CES1 | |
| SCHEMBL11870518 | 0.74 | OGG1 (0.47) | CYP1A2ALOX5SMN1; SMN2CYP2C19CNR1 |
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 7 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 | 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 |