Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.46 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4408113 | 0.81 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1HTTMAPTHPGD | |
| SCHEMBL8616090 | 0.75 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1HTTCYP3A4HSD11B1 | |
| SCHEMBL13801193 | 0.73 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1HTTMAPTHPGD | |
| SCHEMBL20320455 | 0.72 | CYP2A6 (0.42) | HTTMAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5549540 | 0.71 | L3MBTL1 (0.52) | ALDH1A1L3MBTL1HTTMAPTHPGD | |
| SCHEMBL6100503 | 0.71 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1HTTMAPTHPGD | |
| SCHEMBL310917 | 0.71 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1HTTMAPTHPGD | |
| SCHEMBL5551503 | 0.71 | ALDH1A1 (0.70) | ALDH1A1L3MBTL1HTTMAPTHPGD | |
| SCHEMBL9380046 | 0.71 | ALDH1A1 (0.85) | ALDH1A1L3MBTL1HTTMAPTCYP3A4 | |
| SCHEMBL4204766 | 0.71 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1HTTMAPTHPGD |
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 |