Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 6/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 2/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5359088 | 0.85 | AURKA (0.44) | AURKAPARP1PDPK1KDM4EALDH1A1 | |
| SCHEMBL22613050 | 0.83 | ALOX5 (0.47) | KDM4EALDH1A1HSD17B10MAPTHPGD | |
| SCHEMBL26042322 | 0.77 | ALOX5 (0.52) | KDM4EALDH1A1HSD17B10MAPTTSHR | |
| SCHEMBL30951792 | 0.73 | SIRT3 (0.41) | AURKAPARP1KDM4ETSHRPLK4 | |
| SCHEMBL4348135 | 0.72 | AURKA (0.49) | AURKAPARP1PDPK1KDM4EALDH1A1 | |
| SCHEMBL20459359 | 0.71 | PARP1 (0.41) | PARP1 | |
| SCHEMBL30585548 | 0.70 | CYP3A4 (0.35) | PARP1ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL14444036 | 0.69 | AHR (0.44) | AURKAPARP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL3384120 | 0.69 | AURKA (0.50) | AURKAPARP1PDPK1KDM4EALDH1A1 | |
| SCHEMBL29857972 | 0.69 | CRBN (0.45) | AURKAPARP1PDPK1KDM4EALDH1A1 |
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-111848598-B | Heterocyclic compound, application thereof and composition containing same | 健艾仕生物医药有限公司 | 2024-12-10 | — | — | CN | disclosed |
| CN-112074511-A | Substituted benzodiazoles and their use in therapy | 托马斯·黑勒戴药物研究基金会 | 2020-12-11 | — | — | CN | disclosed |