Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19657972 | 0.91 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17279826 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP2C9LMNAKMT2AHPGD | |
| SCHEMBL2710665 | 0.83 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28825532 | 0.81 | CYP1A2 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27652771 | 0.80 | ALDH1A1 (0.46) | ALDH1A1KMT2AKDM4EIDO1 | |
| SCHEMBL28837864 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL519556 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL218118 | 0.79 | KMT2A (0.57) | ALDH1A1CYP2C9LMNAKMT2AHPGD | |
| SCHEMBL185371 | 0.79 | KMT2A (0.49) | ALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL9383785 | 0.78 | KDM4E (0.56) | ALDH1A1CYP1A2CYP3A4LMNAKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004043951-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS | CAREX S.A. (FR) | 2004-05-27 | — | — | WO | claimed |