Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DKK1 | O94907 | 2/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8515556 | 0.91 | MEN1 (0.40) | KMOCYP1A2DKK1STK17ACCNT1 | |
| SCHEMBL8511790 | 0.89 | ROCK2 (0.41) | KMOKDM4EALDH1A1DKK1STK17A | |
| Hydrochloric Acid SCHEMBL8512525 | 0.89 | ROCK2 (0.41) | KMOKDM4EALDH1A1DKK1STK17A | |
| Hydrochloric Acid SCHEMBL8511580 | 0.89 | ROCK2 (0.41) | KMOKDM4EALDH1A1DKK1STK17A | |
| SCHEMBL8514539 | 0.89 | KMO (0.45) | KMOKDM4EALDH1A1HPGDDKK1 | |
| SCHEMBL8510671 | 0.89 | DKK1 (0.44) | KMODKK1PIK3CASORDMTOR | |
| SCHEMBL8512439 | 0.88 | DKK1 (0.56) | KMODKK1PIK3CASORDMTOR | |
| Hydrochloric Acid SCHEMBL8513412 | 0.87 | DKK1 (0.55) | KMODKK1PIK3CASORDMTOR | |
| SCHEMBL8510713 | 0.87 | KMO (0.39) | KMODKK1PIK3CASORDMTOR | |
| SCHEMBL8514120 | 0.85 | KMO (0.40) | KMOKDM4EALDH1A1HPGDDKK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |