Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 13/20 | 0.62 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10288974 | 0.85 | SIGMAR1 (0.62) | SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL18516696 | 0.83 | SIGMAR1 (0.60) | SIGMAR1HRH3ALDH1A1 | |
| SCHEMBL10223554 | 0.81 | SIGMAR1 (0.58) | SIGMAR1 | |
| SCHEMBL18516615 | 0.81 | SIGMAR1 (0.58) | SIGMAR1ALDH1A1 | |
| SCHEMBL18516703 | 0.81 | SIGMAR1 (0.58) | SIGMAR1 | |
| SCHEMBL12880000 | 0.81 | HRH3 (0.78) | SIGMAR1HRH3CYP2D6L3MBTL1KDM4E | |
| SCHEMBL10076573 | 0.79 | MC4R (0.65) | HRH3CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL18378603 | 0.77 | CYP2D6 (0.57) | SIGMAR1CYP2D6CYP2C9CYP2C19RECQL | |
| SCHEMBL18138028 | 0.77 | CYP2D6 (0.57) | SIGMAR1CYP2D6CYP2C9CYP2C19RECQL | |
| SCHEMBL13675505 | 0.77 | SIGMAR1 (0.71) | SIGMAR1CYP2D6KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1957498-B1 | INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING | METHYLGENE INC (CA) | 2017-02-15 | — | — | EP | disclosed |