Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8964297 | 0.87 | KCNH3 (0.36) | CYP3A4TDP1ALDH1A1MAPK1KCNH3 | |
| SCHEMBL19248847 | 0.82 | — | — | |
| SCHEMBL7163809 | 0.81 | TDP1 (0.39) | CYP3A4TDP1ALDH1A1MAPK1ESR1 | |
| SCHEMBL16935382 | 0.81 | VEGFA (0.35) | KCNH3 | |
| SCHEMBL17345935 | 0.81 | MAPT (0.30) | — | |
| SCHEMBL17345976 | 0.79 | FDPS (0.33) | — | |
| SCHEMBL5405887 | 0.78 | METAP2 (0.35) | CYP3A4TDP1ALDH1A1MAPK1 | |
| SCHEMBL27343 | 0.77 | CYP3A4 (0.50) | CYP3A4TDP1ALDH1A1MAPK1ESR1 | |
| Phosphine SCHEMBL25423478 | 0.75 | CYP3A4 (0.47) | CYP3A4TDP1ALDH1A1ESR1ESR2 | |
| SCHEMBL9803502 | 0.75 | CYP3A4 (0.47) | CYP3A4TDP1ALDH1A1ESR1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0632006-B1 | Process for the carbonylation of methanol or a reactive derivative thereof | BP CHEM INT LTD (GB) | 1998-05-13 | — | — | EP | disclosed |
| US-5488153-A | REACTION OF CARBON MONOXIDE IN THE PRESENCE OF RHODIUM CATALYST WITH BIDENTATE PHOSPHOROUS-SULFUR LIGAND AND HALOGEN PROMOTER | BP CHEMICALS LIMITED (GB) | 1996-01-30 | — | — | US | disclosed |
| EP-0632006-A1 | Process for the carbonylation of methanol or a reactive derivative thereof | BP Chemicals Limited (GB) | 1995-01-04 | — | — | EP | disclosed |