Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9683068 | 0.87 | KMT2A (0.46) | CYP2D6KMT2AMAPTBRD4KCNA5 | |
| SCHEMBL21641193 | 0.86 | CACNA2D1 (0.50) | SLC6A9OPRD1KMT2A | |
| SCHEMBL17726230 | 0.85 | KMT2A (0.45) | SLC6A9OPRD1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL5779560 | 0.83 | KMT2A (0.51) | SLC6A9CYP3A4CYP2D6CYP2C9OPRD1 | |
| SCHEMBL14769296 | 0.83 | SLC6A9 (0.52) | SLC6A9OPRD1KMT2AALDH1A1 | |
| SCHEMBL21640152 | 0.80 | OPRD1 (0.49) | SLC6A9OPRD1KMT2AMAPTALDH1A1 | |
| SCHEMBL6631278 | 0.80 | LMNA (0.51) | CYP2D6MAPTKCNA5KDM4EALDH1A1 | |
| SCHEMBL844722 | 0.80 | LMNA (0.51) | CYP2D6MAPTKCNA5KDM4EALDH1A1 | |
| SCHEMBL27852158 | 0.78 | ALDH1A1 (0.39) | SLC6A9OPRD1KMT2AMAPTALDH1A1 | |
| SCHEMBL72964 | 0.77 | CYP3A4 (0.49) | SLC6A9CYP3A4CYP2D6CYP2C9OPRD1 |
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-0630374-B1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME (GB) | 2001-09-05 | — | — | EP | disclosed |
| US-5567726-A | SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE-LIKE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS | MERCK, SHARP & DOHME LTD. (GB) | 1996-10-22 | — | — | US | disclosed |
| US-5510362-A | VASOCONSTRUCTION | MERCK, SHARP AND DOHME LIMITED (GB) | 1996-04-23 | — | — | US | disclosed |
| EP-0651749-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1995-05-10 | — | — | EP | disclosed |
| EP-0630374-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1994-12-28 | — | — | EP | disclosed |
| WO-1994002477-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |
| WO-1993018029-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1993-09-16 | — | — | WO | disclosed |