Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL4899294 | 0.89 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL9619306 | 0.86 | LTA4H (0.35) | CYP3A4TDP1TSHR | |
| SCHEMBL15285876 | 0.84 | LTA4H (0.36) | TDP1 | |
| SCHEMBL8639182 | 0.83 | DNM1 (0.38) | TDP1 | |
| SCHEMBL8070483 | 0.83 | DNM1 (0.38) | TDP1 | |
| SCHEMBL9619418 | 0.80 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL10705336 | 0.78 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL28897741 | 0.75 | ALDH1A1 (0.34) | CYP3A4TDP1TSHR | |
| SCHEMBL15285713 | 0.75 | ALDH1A1 (0.35) | CYP3A4TDP1 | |
| SCHEMBL2154391 | 0.74 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6084133-A | REACTING A PHOSPHINE HALIDE WITH A METAL, THEN PROTONATION RESULTING DIORGANO-SUBSTITUTED METAL PHOSPHIDE; SIMPLIFICATION, NONTOXIC, EFFICIENCY | KANKYO KAGAKU CENTER CO., LTD. (JP) | 2000-07-04 | — | — | US | disclosed |