Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.49 |
| ▸ | FADS1 | O60427 | 3/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.46 |
| ▸ | PDE5A | O76074 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PDE1A | P54750 | 1/20 | 0.45 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28464625 | 0.87 | TDP1 (0.45) | ABCG2HPGDALDH1A1CYP3A4MAPT | |
| SCHEMBL28460612 | 0.87 | KCNH3 (0.50) | EGFRABCG2MAPTSMN1; SMN2ABL1 | |
| SCHEMBL28460207 | 0.86 | ABCG2 (0.46) | EGFRFADS1ABCG2HPGDALDH1A1 | |
| SCHEMBL28468375 | 0.83 | ABCG2 (0.48) | EGFRABCG2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL28463105 | 0.76 | KCNH3 (0.51) | ABCG2MAPTMEN1KMT2A | |
| SCHEMBL28468374 | 0.73 | AURKA (0.43) | EGFRALDH1A1MAPTCDK1CCNB2 | |
| SCHEMBL16392008 | 0.69 | ABCG2 (0.70) | ABCG2PDE5AKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL15102399 | 0.69 | KCNH3 (0.61) | ABCG2PDE5AKDM4EABCB1ABCC1 | |
| SCHEMBL24726686 | 0.69 | KCNH3 (0.74) | MAPTMEN1KMT2A | |
| SCHEMBL30269680 | 0.68 | ALDH1A1 (0.50) | ABCG2HPGDALDH1A1CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-107382840-B | Pyridine compound and application thereof as IDH function mutation mutant inhibitor drug | 四川大学 | 2020-09-01 | — | — | CN | disclosed |