Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | GPR35 | Q9HC97 | 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 | |
|---|---|---|---|---|
| SCHEMBL28463105 | 0.87 | KCNH3 (0.51) | ABCG2MEN1DHODHKMT2ATDP1 | |
| SCHEMBL28460207 | 0.85 | ABCG2 (0.46) | ABCG2LMNAALDH1A1POLBEGFR | |
| SCHEMBL28464625 | 0.84 | TDP1 (0.45) | ABCG2LMNAMEN1ALDH1A1CYP3A4 | |
| SCHEMBL28460612 | 0.84 | KCNH3 (0.50) | ABCG2LMNAKMT2AHIF1AAURKA | |
| SCHEMBL28459525 | 0.83 | EGFR (0.49) | ABCG2MEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL28468374 | 0.80 | AURKA (0.43) | MEN1ALDH1A1DHODHKMT2ATDP1 | |
| SCHEMBL30754777 | 0.73 | LMNA (0.65) | ABCG2LMNAMEN1GMNNALDH1A1 | |
| SCHEMBL2739344 | 0.72 | LMNA (0.64) | ABCG2LMNAMEN1GMNNALDH1A1 | |
| SCHEMBL24401492 | 0.71 | TUBB4A (0.50) | ABCG2LMNAMEN1GMNNALDH1A1 | |
| SCHEMBL14243705 | 0.71 | KCNH3 (0.50) | ABCG2LMNAMEN1ALDH1A1CYP1A2 |
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 |