Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | HPGD | P15428 | 7/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.49 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 8/20 | 0.48 |
| ▸ | CA9 | Q16790 | 8/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 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 | |
|---|---|---|---|---|
| Chromonar SCHEMBL29724124 | 0.82 | KDM4E (0.67) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| Chromonar SCHEMBL309094 | 0.82 | KDM4E (0.67) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL4395187 | 0.82 | KDM4E (0.65) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| Chromonar SCHEMBL122836 | 0.82 | KDM4E (0.66) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| Chromonar SCHEMBL29351852 | 0.82 | KDM4E (0.66) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL29944843 | 0.72 | KDM4E (0.55) | KDM4EALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL7141692 | 0.72 | KDM4E (0.55) | KDM4EALDH1A1HPGDHSD17B10NPC1 | |
| Hexobendine SCHEMBL125629 | 0.70 | SCN1A (1.00) | SCN1ASCN2ASCN3ASMN1; SMN2KMT2A | |
| SCHEMBL18095433 | 0.70 | ALDH1A1 (0.70) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| Chromonar SCHEMBL28142053 | 0.69 | THRA (0.53) | KDM4EALDH1A1HPGDHSD17B10SCN1A |
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-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |