Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2916053 | 0.92 | CYP3A4 (0.39) | CYP3A4TDP1ESR1ESR2TP53 | |
| SCHEMBL14502474 | 0.91 | CYP3A4 (0.35) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL9441831 | 0.89 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2TP53 | |
| SCHEMBL13391635 | 0.89 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2TP53 | |
| SCHEMBL4750482 | 0.88 | LTA4H (0.36) | CYP3A4TDP1ESR1ESR2TP53 | |
| SCHEMBL11115959 | 0.86 | LTA4H (0.37) | CYP3A4TDP1ESR1ESR2TP53 | |
| SCHEMBL15659608 | 0.84 | DNM1 (0.39) | TP53 | |
| Iodide SCHEMBL491999 | 0.84 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2TP53 | |
| Hydrochloric Acid SCHEMBL493348 | 0.84 | TDP1 (0.41) | CYP3A4TDP1ESR1ESR2TP53 | |
| Bromide SCHEMBL493074 | 0.84 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2TP53 |
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-0283586-B1 | HOMOLOGATION PROCESS | UNION CARBIDE CORPORATION (US) | 1993-03-17 | — | — | EP | disclosed |
| EP-0283586-A2 | Homologation process | UNION CARBIDE CORPORATION (US) | 1988-09-28 | — | — | EP | disclosed |
| US-4727200-A | RHODIUM-BASED CATALYST; MILD CONDITIONS | UNION CARBIDE CORPORATION (US) | 1988-02-23 | — | — | US | disclosed |