Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 5/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.33 |
| ▸ | FLT1 | P17948 | 2/20 | 0.33 |
| ▸ | FLT4 | P35916 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | KIF5B | P33176 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29638115 | 0.95 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2EGFRKDM4ETDP1 | |
| SCHEMBL29638107 | 0.83 | EGFR (0.35) | ALDH1A1SMN1; SMN2EGFRGAA | |
| SCHEMBL29638120 | 0.66 | EGFR (0.44) | EGFR | |
| SCHEMBL29597402 | 0.61 | KMT2A (0.47) | ALDH1A1SMN1; SMN2EGFRTDP1GAA | |
| SCHEMBL31588399 | 0.61 | SCN9A (0.43) | ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL17059241 | 0.61 | EGFR (0.51) | EGFR | |
| SCHEMBL28374703 | 0.61 | TNKS (0.40) | ALDH1A1HTR1A | |
| SCHEMBL7801061 | 0.60 | MAPT (0.56) | ALDH1A1SMN1; SMN2SIRT6HTR1AHTR1D | |
| SCHEMBL30948589 | 0.60 | CCNT1 (0.42) | EGFRFGFR1FLT1FLT4KDR | |
| SCHEMBL21410342 | 0.59 | CYP2D6 (0.56) | ALDH1A1SMN1; SMN2KDM4ESIRT6 |
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-110950871-B | 2-substituted-4-arylamino pyrazolotriazine derivative and application thereof in preparing antitumor drugs | 陕西师范大学 | 2022-05-17 | — | — | CN | claimed |