Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8735572 | 0.97 | CYP3A4 (0.41) | CYP3A4TDP1IDO1HDAC3HDAC4 | |
| Water SCHEMBL2944908 | 0.95 | CYP3A4 (0.39) | CYP3A4TDP1IDO1HDAC3HDAC4 | |
| Ether SCHEMBL2944905 | 0.83 | CYP3A4 (0.31) | CYP3A4TDP1 | |
| SCHEMBL3680019 | 0.81 | HDAC3 (0.42) | CYP3A4TDP1IDO1HDAC3HDAC4 | |
| SCHEMBL27343 | 0.81 | CYP3A4 (0.50) | CYP3A4TDP1IDO1ESR1ESR2 | |
| SCHEMBL16101308 | 0.79 | CYP3A4 (0.43) | CYP3A4TDP1IDO1ESR1ESR2 | |
| Phosphine SCHEMBL25423478 | 0.78 | CYP3A4 (0.47) | CYP3A4TDP1IDO1ESR1ESR2 | |
| SCHEMBL9803491 | 0.78 | CYP3A4 (0.47) | CYP3A4TDP1IDO1ESR1ESR2 | |
| SCHEMBL8850573 | 0.78 | CYP3A4 (0.47) | CYP3A4TDP1IDO1ESR1ESR2 | |
| SCHEMBL22749137 | 0.78 | CYP3A4 (0.47) | CYP3A4TDP1IDO1ESR1ESR2 |
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 |