Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29803503 | 0.83 | RAB9A (0.56) | KDM4EADORA2AADORA1XDHCYP1A2 | |
| SCHEMBL1065562 | 0.83 | RAB9A (0.56) | KDM4EADORA2AADORA1XDHCYP1A2 | |
| SCHEMBL30933626 | 0.79 | MAP4K4 (0.50) | KDM4EADORA2AADORA1KMORAB9A | |
| SCHEMBL13155157 | 0.79 | MAP4K4 (0.50) | KDM4EADORA2AADORA1KMORAB9A | |
| SCHEMBL28461127 | 0.78 | IDO1 (0.50) | KDM4EADORA2AADORA1KMOIDO1 | |
| SCHEMBL6232790 | 0.78 | NOS3 (0.50) | ADORA2AADORA1KMOXDHTSHR | |
| SCHEMBL28946840 | 0.77 | ADORA2A (0.51) | ADORA2AADORA1XDHCYP1A2CYP3A4 | |
| SCHEMBL28461094 | 0.76 | CASP3 (0.44) | KDM4EKMOIDO1ALDH1A1NPC1 | |
| SCHEMBL40311 | 0.76 | TSHR (0.53) | ADORA2AADORA1XDHTSHRMAPK1 | |
| SCHEMBL27202013 | 0.75 | MAP4K4 (0.52) | KDM4EIDO1ALDH1A1 |
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-111662242-B | Heterocyclic IDH mutant inhibitor, preparation method and application thereof | 中国药科大学 | 2023-10-24 | — | — | CN | disclosed |
| CN-111662242-A | Heterocyclic IDH mutant inhibitor, preparation method and application thereof | 中国药科大学 | 2020-09-15 | — | — | CN | disclosed |