Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CCND1 | P24385 | 4/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.38 |
| ▸ | CCND3 | P30281 | 2/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30544687 | 0.81 | POLB (0.49) | HTR2BHTR6PARP1ALDH1A1PRKCI | |
| SCHEMBL30544668 | 0.81 | TIPARP (0.41) | TIPARPPARP1CDK4CCND1CCND3 | |
| SCHEMBL30905935 | 0.79 | HTR3E (0.49) | KDRHTR2BHTR6PARP1ALDH1A1 | |
| SCHEMBL30544684 | 0.78 | PIK3CD (0.53) | PDGFRBFGFR1KDRPARP1ALDH1A1 | |
| SCHEMBL30544663 | 0.76 | ATM (0.42) | — | |
| SCHEMBL30544700 | 0.74 | PIM1 (0.42) | FGFR1PARP1ALDH1A1PRKCIPDE4B | |
| SCHEMBL30984964 | 0.72 | CYP3A4 (0.36) | PARP1ALDH1A1PRKCIPDE4BHSD17B10 | |
| SCHEMBL30985122 | 0.71 | PARP1 (0.38) | PARP1ALDH1A1PRKCIPDE4BHSD17B10 | |
| SCHEMBL25141523 | 0.71 | MAPT (0.48) | ALDH1A1CDK4CYP3A4CCND1CCND3 | |
| SCHEMBL30985228 | 0.71 | SYK (0.38) | PARP1ALDH1A1PRKCIPDE4BHSD17B10 |
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-116635371-A | Polycyclic pyridazinone derivative serving as SOS1 inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2023-08-22 | — | — | CN | disclosed |