Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.33 |
| ▸ | TSHR | P16473 | 5/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 4/20 | 0.31 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8057798 | 0.95 | ALDH1A1 (0.33) | CYP2D6ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL8055973 | 0.93 | ALDH1A1 (0.35) | CYP2D6ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL625038 | 0.90 | CYP2D6 (0.38) | CYP2D6ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL8062647 | 0.86 | ALDH1A1 (0.32) | CYP2D6ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL503822 | 0.84 | ALDH1A1 (0.41) | CYP2D6ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL30604506 | 0.84 | ALDH1A1 (0.41) | CYP2D6ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL16878003 | 0.82 | ALDH1A1 (0.39) | CYP2D6ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL16877515 | 0.82 | ALDH1A1 (0.39) | CYP2D6ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL16877502 | 0.82 | — | — | |
| SCHEMBL8060419 | 0.81 | CXCR4 (0.30) | ALDH1A1SMN1; SMN2CXCR4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6140333-A | FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA | BANYU PHARMACEUTICAL CO LTD (JP) | 2000-10-31 | — | — | US | disclosed |