Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 13/20 | 0.58 |
| ▸ | HTR1B | P28222 | 13/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | THPO | P40225 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 3/20 | 0.54 |
| ▸ | HTR1F | P30939 | 2/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL8784524 | 0.93 | KDM4E (0.58) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8783770 | 0.86 | HTR2C (0.52) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8901002 | 0.85 | CYP2D6 (0.43) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7480581 | 0.81 | HTR1D (0.63) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27328403 | 0.80 | NOTUM (0.36) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8784592 | 0.80 | HTR1D (0.58) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8783611 | 0.79 | HTR1D (0.57) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7323854 | 0.77 | HTR1D (0.60) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23010847 | 0.75 | HTR1D (0.72) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31130003 | 0.75 | NOTUM (0.50) | HTR1DHTR1BHTR1AATM |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1038681-C | Triazole derivatives and their use as fungicides | MERCK SHARP DOHME LTD (GB) | 1998-06-10 | — | — | CN | claimed |
| 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 |
| CN-1128617-C | Prepration method for medicinal composition containing triazolyl derivative | MERCK SHARP & DOHME (GB) | 2003-11-26 | — | — | CN | disclosed |
| CN-1061654-C | Tetrazole derivatives and process for preparation thereof | MERCK SHARP & DOHME (GB) | 2001-02-07 | — | — | CN | disclosed |
| CN-1060479-C | Preparation method for imidazole derivatives | MERCK SHARP & DOHME (GB) | 2001-01-10 | — | — | CN | disclosed |
| CN-1161834-A | Prepration method for medicinal composition containing triazolyl derivative | MERCK SHARP & DOHME (GB) | 1997-10-15 | — | — | CN | disclosed |
| CN-1161967-A | Preparation method for imidazole derivatives | MERCK SHARP & DOHME (GB) | 1997-10-15 | — | — | CN | disclosed |
| EP-0497512-B1 | Imidazole, triazole and tetrazole derivatives | MERCK SHARP & DOHME (GB) | 1997-09-24 | — | — | EP | disclosed |
| CN-1157821-A | Process for preparation of tetrazole derivatives | MERCK SHARP & DOHME (DE) | 1997-08-27 | — | — | CN | disclosed |
| EP-0781277-A1 | NEUROKININ ANTAGONISTS | BOEHRINGER INGELHEIM KG (DE) | 1997-07-02 | — | — | 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 |