Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | FADS1 | O60427 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29426251 | 0.90 | KMT2A (0.42) | KMT2AMAPTMEN1HPGDKDM4E | |
| SCHEMBL22587498 | 0.90 | KMT2A (0.42) | KMT2AMAPTMEN1HPGDKDM4E | |
| SCHEMBL22587461 | 0.87 | ABCG2 (0.53) | KMT2AMAPTMEN1HPGDKDM4E | |
| SCHEMBL29426102 | 0.83 | YTHDC1 (0.37) | KMT2AMAPTMEN1HPGDKDM4E | |
| SCHEMBL28523551 | 0.81 | MEN1 (0.37) | KMT2AMEN1KDM4EYTHDC1 | |
| SCHEMBL29426122 | 0.81 | MEN1 (0.37) | KMT2AMEN1KDM4EYTHDC1 | |
| SCHEMBL23828535 | 0.81 | YTHDC1 (0.40) | KMT2AMAPTMEN1HPGDKDM4E | |
| SCHEMBL22587454 | 0.79 | LATS1 (0.44) | KMT2AMEN1GAALMNACA1 | |
| SCHEMBL2244532 | 0.78 | ACVR1 (0.38) | LMNAYTHDC1 | |
| SCHEMBL2207196 | 0.78 | FTO (0.41) | KMT2AMEN1CYP3A4CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114127063-B | Pyrimidine five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor | 上海仕谱生物科技有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-114127063-A | Pyrimido five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor | 上海仕谱生物科技有限公司 | 2022-03-01 | — | — | CN | disclosed |