Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.43 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.43 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11867300 | 0.82 | ABCB1 (0.51) | ALDH1A1ABCB1NLRP3MAPTKDM4E | |
| SCHEMBL30201359 | 0.77 | NLRP3 (0.48) | ALDH1A1ABCB1NLRP3MAPTKDM4E | |
| SCHEMBL1096330 | 0.77 | NLRP3 (0.48) | ALDH1A1ABCB1NLRP3MAPTKDM4E | |
| SCHEMBL11682561 | 0.76 | AKR1C4 (0.55) | ALDH1A1MAPTKDM4EHPGDGAA | |
| SCHEMBL9268795 | 0.76 | ABCB1 (0.48) | ALDH1A1ABCB1MAPTKDM4ECYP4F2 | |
| SCHEMBL9727774 | 0.75 | ALDH1A1 (0.71) | ALDH1A1MAPTKDM4EHPGDGAA | |
| SCHEMBL7558526 | 0.75 | NLRP3 (0.54) | ALDH1A1ABCB1NLRP3KDM4EGLA | |
| SCHEMBL11545231 | 0.74 | NLRP3 (0.52) | ALDH1A1ABCB1NLRP3MAPTKDM4E | |
| SCHEMBL14489629 | 0.74 | KDM4E (0.50) | ALDH1A1NLRP3MAPTKDM4EHPGD | |
| SCHEMBL11010057 | 0.73 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDALOX15KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4522945-A | SEROTONINE ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-06-11 | — | — | US | disclosed |
| EP-0013612-B1 | (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-11-09 | — | — | EP | disclosed |
| US-4335127-A | POTENT SEROTONIN ANTAGONISTS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1982-06-15 | — | — | US | disclosed |
| EP-0013612-A2 | (Piperidinylalkyl)quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-07-23 | — | — | EP | disclosed |