Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6288762 | 0.83 | CYP3A4 (0.61) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9333193 | 0.79 | CYP3A4 (0.50) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9333317 | 0.77 | KDM4E (0.48) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL8155096 | 0.75 | TDP1 (0.41) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL2846416 | 0.73 | TDP1 (0.55) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9332945 | 0.73 | TDP1 (0.48) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9333343 | 0.71 | CYP3A4 (0.52) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9333180 | 0.71 | KDM4E (0.58) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9333200 | 0.71 | KDM4E (0.58) | CYP3A4TDP1KDM4EGAAESR1 | |
| Benzene SCHEMBL6890099 | 0.68 | TDP1 (1.00) | CYP3A4TDP1KDM4EGAAESR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0499329-B1 | Carbonylation catalyst system | SHELL INT RESEARCH (NL) | 1994-05-04 | — | — | EP | disclosed |
| US-5258546-A | Reaction of acetylene with carbon monoxide for alpha, beta-olefin unsaturated compounds | SHELL OIL COMPANY (US) | 1993-11-02 | — | — | US | disclosed |
| US-5189003-A | Of group 8 metal or compound and a polyphosphine | SHELL OIL COMPANY (US) | 1993-02-23 | — | — | US | disclosed |
| EP-0499329-A1 | Carbonylation catalyst system | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-08-19 | — | — | EP | disclosed |