Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL629912 | 0.85 | MEN1 (0.54) | ALDH1A1TSHRL3MBTL1OPRD1OPRK1 | |
| SCHEMBL7299227 | 0.85 | L3MBTL1 (0.59) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL3558511 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL29365580 | 0.82 | SMN1; SMN2 (0.56) | ALDH1A1OPRD1OPRK1MEN1KMT2A | |
| SCHEMBL630859 | 0.81 | MEN1 (0.50) | ALDH1A1TSHRL3MBTL1MEN1KMT2A | |
| SCHEMBL25670728 | 0.81 | CYP2D6 (0.53) | ALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL3104656 | 0.81 | MEN1 (0.50) | TSHROPRD1OPRK1MEN1KMT2A | |
| SCHEMBL25302503 | 0.81 | OPRD1 (0.48) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL3556103 | 0.80 | CYP2C19 (0.47) | ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL631455 | 0.80 | MEN1 (0.59) | ALDH1A1L3MBTL1OPRD1OPRK1MEN1 |
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 6 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 |
| CN-1344264-A | Tetrahydropyran derivatives and their use as therapeutic agents | MERCK SHARP & DOHME (GB) | 2002-04-10 | — | — | CN | 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 |
| WO-2000056728-A1 | TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2000-09-28 | — | — | WO | disclosed |