Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6424614 | 0.80 | TACR1 (0.47) | TACR1ALDH1A1HPGD | |
| SCHEMBL5345569 | 0.79 | TACR1 (0.37) | TACR1ALDH1A1HPGDHTT | |
| SCHEMBL5432312 | 0.79 | MEN1 (0.35) | TACR1ALDH1A1 | |
| SCHEMBL6904039 | 0.76 | ALDH1A1 (0.32) | TACR1ALDH1A1HPGDHTT | |
| SCHEMBL1973007 | 0.74 | ALDH1A1 (0.61) | TACR1ALDH1A1HPGDHTT | |
| SCHEMBL16395600 | 0.73 | KMT2A (0.49) | CFTRALDH1A1 | |
| SCHEMBL7916641 | 0.72 | CHRNB2 (0.45) | TACR1 | |
| SCHEMBL5199411 | 0.71 | TACR1 (0.48) | TACR1 | |
| SCHEMBL4135034 | 0.71 | TACR1 (0.48) | TACR1 | |
| SCHEMBL8658515 | 0.71 | MYC (0.40) | TACR1CFTRALDH1A1 |
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-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |