Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | CDC25B | P30305 | 4/20 | 0.57 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7674442 | 0.85 | ALDH1A1 (0.51) | ALDH1A1CDC25BIRAK4NR4A2KDM4E | |
| SCHEMBL1162404 | 0.82 | CDC25B (0.80) | ALDH1A1CDC25BNR4A1NR4A2NR4A3 | |
| SCHEMBL10889935 | 0.81 | CDC25B (0.78) | ALDH1A1CDC25BNR4A1NR4A2NR4A3 | |
| SCHEMBL11551208 | 0.79 | CDC25B (0.58) | ALDH1A1CDC25BNR4A1NR4A2NR4A3 | |
| SCHEMBL22129886 | 0.79 | CDC25B (0.57) | ALDH1A1CDC25BNR4A1NR4A2NR4A3 | |
| SCHEMBL23156795 | 0.76 | CDC25B (0.58) | ALDH1A1CDC25BNR4A1NR4A2NR4A3 | |
| SCHEMBL8035373 | 0.76 | IRAK4 (0.60) | ALDH1A1IRAK4KDM4EGLAMAPT | |
| SCHEMBL6564013 | 0.75 | PTPN7 (0.61) | ALDH1A1CDC25BNR4A1NR4A2NR4A3 | |
| SCHEMBL11158291 | 0.75 | PDE10A (0.58) | ALDH1A1CDC25BNR4A1NR4A2NR4A3 | |
| SCHEMBL31729823 | 0.75 | DHODH (0.58) | ALDH1A1CDC25BKDM4EHPGDNPC1 |
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-6403601-B1 | TREATMENT OF ASTHMA, ANXIETY, DEPRESSION, EMESIS, URINARY INCONTINENCE AND RELATED CONDITIONS. | ASTRAZENECA AB (SE) | 2002-06-11 | — | — | US | disclosed |
| EP-1137637-A1 | N-(2-PHENYL-4-PIPERIDINYLBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000034243-A1 | N-(2-PHENYL-4-PIPERIDINYBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2000-06-15 | — | — | WO | disclosed |