Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 11/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6749178 | 0.80 | CYP19A1 (0.38) | CYP19A1KMT2AMEN1CYP26A1HSP90AA1 | |
| SCHEMBL2656737 | 0.75 | CYP19A1 (0.33) | CYP19A1KMT2AMEN1CYP26A1 | |
| SCHEMBL11202221 | 0.74 | HSP90AA1 (0.38) | CYP19A1KMT2AMEN1HSP90AA1CYP3A4 | |
| SCHEMBL8890451 | 0.70 | — | — | |
| SCHEMBL6616364 | 0.70 | ALDH1A1 (0.34) | KMT2AMEN1 | |
| SCHEMBL7268446 | 0.68 | CYP19A1 (0.38) | CYP19A1 | |
| SCHEMBL1131365 | 0.67 | CYP19A1 (0.38) | CYP19A1 | |
| SCHEMBL8453886 | 0.66 | — | — | |
| SCHEMBL5306513 | 0.66 | FAAH (0.49) | CYP19A1KMT2AMEN1CYP26A1HSP90AA1 | |
| SCHEMBL10361017 | 0.64 | ALDH1A1 (0.46) | CYP19A1KMT2AMEN1HSP90AA1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165540-B1 | TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2003-08-13 | — | — | EP | disclosed |
| US-6458830-B1 | THE COMPOUNDS ARE OF PARTICULAR USE IN THE TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA. | MERCK SHARP & DOHME LTD. | 2002-10-01 | — | — | US | disclosed |
| EP-1165540-A1 | TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000056727-A1 | TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2000-09-28 | — | — | WO | disclosed |