Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12991538 | 0.78 | TDP1 (0.55) | TDP1ALDH1A1HPGDMAPTGLA | |
| SCHEMBL28019424 | 0.74 | PSMB5 (0.54) | TDP1ALDH1A1HPGDMAPTGLA | |
| SCHEMBL6849143 | 0.74 | ALDH1A1 (0.59) | TDP1ALDH1A1HPGDMAPTGLA | |
| SCHEMBL1811989 | 0.74 | TDP1 (0.44) | TDP1ALDH1A1HPGDMAPTGLA | |
| SCHEMBL16764607 | 0.73 | ALDH1A1 (0.67) | TDP1ALDH1A1HPGDMAPTGLA | |
| Acridine SCHEMBL8003444 | 0.73 | ALDH1A1 (0.71) | TDP1ALDH1A1HPGDMAPTGLA | |
| SCHEMBL2596089 | 0.73 | TDP1 (0.63) | TDP1ALDH1A1HPGDMAPTGLA | |
| SCHEMBL30511098 | 0.73 | TDP1 (0.63) | TDP1ALDH1A1HPGDMAPTGLA | |
| SCHEMBL22263495 | 0.72 | PPARD (0.47) | TDP1ALDH1A1HPGDMAPTGLA | |
| SCHEMBL2487289 | 0.72 | PPARD (0.50) | ALDH1A1HPGDKDM4ESMN1; SMN2TSHR |
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-105189498-B | Geminally substituted cyanoethylpyrazolopyridinones as JANUS kinase inhibitors | 默沙东公司 | 2017-06-27 | — | — | CN | disclosed |