Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL7075788 | 1.00 | CYP3A4 (0.36) | CYP3A4TDP1MAOBESR1ESR2 | |
| SCHEMBL15759942 | 1.00 | CYP3A4 (0.36) | CYP3A4TDP1MAOBESR1ESR2 | |
| SCHEMBL4972429 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1MAOBESR1ESR2 | |
| SCHEMBL8104110 | 0.81 | CYP3A4 (0.39) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL7922209 | 0.77 | CYP3A4 (0.36) | CYP3A4TDP1MAOB | |
| SCHEMBL6408532 | 0.76 | CYP3A4 (0.35) | CYP3A4TDP1MAOB | |
| SCHEMBL16240152 | 0.76 | IDO1 (0.45) | TDP1MAOB | |
| SCHEMBL16240154 | 0.76 | IDO1 (0.45) | TDP1MAOB | |
| SCHEMBL4974727 | 0.76 | CYP3A4 (0.35) | CYP3A4TDP1MAOB | |
| SCHEMBL4974734 | 0.76 | CYP3A4 (0.35) | CYP3A4TDP1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1332124-A1 | PROCESS FOR THE CARBONYLATION OF A CONJUGATED DIENE | DSM N.V. (NL) | 2003-08-06 | — | — | EP | disclosed |
| WO-2002026690-A1 | PROCESS FOR THE CARBONYLATION OF A CONJUGATED DIENE | DSM N.V. (NL) | 2002-04-04 | — | — | WO | disclosed |