Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | F2RL1 | P55085 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 2/20 | 0.30 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL8908483 | 0.83 | CYP2D6 (0.34) | CYP2D6ALDH1A1LMNAMAPK1SMN1; SMN2 | |
| SCHEMBL2527313 | 0.74 | ALDH1A1 (0.34) | CYP2D6ALDH1A1SMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL9129241 | 0.72 | PPARG (0.31) | — | |
| SCHEMBL9137827 | 0.72 | PPARG (0.30) | — | |
| SCHEMBL8113711 | 0.69 | LMNA (0.40) | ALDH1A1LMNAMAPK1SMN1; SMN2ATM | |
| SCHEMBL5165521 | 0.69 | CYP2D6 (0.61) | CYP2D6ALDH1A1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL4677052 | 0.67 | HDAC8 (0.39) | ALDH1A1L3MBTL1CYP1A2CYP2C19HPGD | |
| SCHEMBL21449928 | 0.67 | CYP2D6 (0.41) | CYP2D6ALDH1A1LMNAMAPK1SMN1; SMN2 | |
| SCHEMBL10961574 | 0.66 | GABRA1 (0.46) | ALDH1A1SMN1; SMN2L3MBTL1ATM | |
| SCHEMBL20207510 | 0.65 | CYP2D6 (0.40) | CYP2D6ALDH1A1LMNAMAPK1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686478-A | Endothelin antagonists | MERCK & CO. INC. (US) | 1997-11-11 | — | — | US | disclosed |
| WO-1995003295-A1 | ENDOTHELIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-02-02 | — | — | WO | disclosed |