Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 6/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | P4HB | P07237 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ESRRA | P11474 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9100361 | 0.84 | ALDH1A1 (0.50) | CFTRALDH1A1PTGS2MAPTCYP1A2 | |
| SCHEMBL16610419 | 0.83 | KDM4E (0.42) | CFTRNOTUMALDH1A1PTGS2MAPT | |
| SCHEMBL21199936 | 0.80 | CFTR (0.41) | CFTRNOTUMALDH1A1SOS1PTGS2 | |
| SCHEMBL19582408 | 0.80 | ALDH1A1 (0.49) | CFTRNOTUMALDH1A1PTGS2MAPT | |
| SCHEMBL498274 | 0.80 | ALDH1A1 (0.49) | CFTRNOTUMALDH1A1PTGS2MAPT | |
| SCHEMBL28012616 | 0.75 | TRPV1 (0.47) | CFTRALDH1A1PTGS2APPP4HB | |
| SCHEMBL16610387 | 0.75 | TRPV1 (0.47) | CFTRALDH1A1PTGS2APPP4HB | |
| SCHEMBL15920408 | 0.73 | CFTR (0.57) | CFTRNOTUMALDH1A1SOS1MAPT | |
| SCHEMBL14893350 | 0.72 | ALDH1A1 (0.48) | ALDH1A1MAPTCYP1A2HSP90AA1CYP2C9 | |
| SCHEMBL26124763 | 0.71 | ALDH1A1 (0.44) | ALDH1A1SOS1PTGS2MAPTCYP1A2 |
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-2015043522-A1 | TRIFLUOROMETHYL-CONTAINING AMIDE ALKALOID, MANUFACTURING METHOD AND PHARMACEUTICAL USE THEREOF | 天士力制药集团股份有限公司 | 2015-04-02 | — | — | WO | disclosed |