Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 17/20 | 0.54 |
| ▸ | FAAH | O00519 | 12/20 | 0.54 |
| ▸ | AADAC | P22760 | 1/20 | 0.54 |
| ▸ | RAF1 | P04049 | 1/20 | 0.48 |
| ▸ | FPR2 | P25090 | 2/20 | 0.46 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL18960369 | 0.92 | EPHX2 (0.48) | EPHX2FAAHAADACRAF1FPR2 | |
| SCHEMBL16570022 | 0.91 | EPHX2 (0.48) | EPHX2FAAHAADACRAF1FPR2 | |
| SCHEMBL5481475 | 0.91 | EPHX2 (0.48) | EPHX2FAAHAADACRAF1FPR2 | |
| SCHEMBL1673897 | 0.87 | HRH1 (0.59) | EPHX2FAAHAADACFPR2PROKR1 | |
| SCHEMBL2298969 | 0.87 | EPHX2 (0.45) | EPHX2FAAHAADACRAF1FPR2 | |
| Potassium Ion SCHEMBL3634494 | 0.84 | HRH1 (0.56) | EPHX2FAAHAADACFPR2PROKR1 | |
| SCHEMBL2056114 | 0.84 | HRH3 (0.58) | EPHX2FAAHFPR2PROKR1MMP2 | |
| SCHEMBL13703554 | 0.82 | HRH1 (0.54) | EPHX2FAAHAADACFPR2PROKR1 | |
| SCHEMBL12175595 | 0.82 | SLC6A4 (0.52) | EPHX2 | |
| SCHEMBL23410168 | 0.81 | HRH1 (0.53) | EPHX2FAAHAADACFPR2PROKR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6372754-B1 | DRUGS FOR TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS OR POSTHERPIC NEURALGIA. | MERCK SHARP & DOHME LTD. | 2002-04-16 | — | — | US | disclosed |
| EP-1161419-A1 | SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000047562-A1 | SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2000-08-17 | — | — | WO | disclosed |