Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.37 |
| ▸ | APBA1 | Q02410 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27643287 | 0.79 | ALDH1A1 (0.44) | KCNJ1HTTALDH1A1MAPTHPGD | |
| SCHEMBL5338473 | 0.74 | HTT (0.40) | HTTALDH1A1MAPTHPGDCACNA1B | |
| SCHEMBL3821496 | 0.73 | TACR1 (0.37) | — | |
| SCHEMBL311546 | 0.72 | ERN1 (0.38) | HTTALDH1A1MAPTHPGDCACNA1B | |
| SCHEMBL5432312 | 0.71 | MEN1 (0.35) | ALDH1A1 | |
| SCHEMBL310917 | 0.70 | ALDH1A1 (0.47) | HTTALDH1A1MAPTHPGDCACNA1B | |
| SCHEMBL6100503 | 0.70 | ALDH1A1 (0.47) | HTTALDH1A1MAPTHPGDCACNA1B | |
| SCHEMBL5551503 | 0.70 | ALDH1A1 (0.70) | HTTALDH1A1MAPTHPGDCACNA1B | |
| SCHEMBL5549540 | 0.70 | L3MBTL1 (0.52) | HTTALDH1A1MAPTHPGDCACNA1B | |
| SCHEMBL8464852 | 0.70 | ALDH1A1 (0.49) | HTTALDH1A1MAPTHPGDCACNA1B |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |