Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL11208438 | 0.89 | KDM4E (0.36) | CYP3A4TDP1PTGS2KDM4EGAA | |
| SCHEMBL196040 | 0.88 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2CA4 | |
| SCHEMBL30679662 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2CA4 | |
| Hydrochloric Acid SCHEMBL28639460 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2CA4 | |
| SCHEMBL28403849 | 0.79 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2CA4 | |
| SCHEMBL8939020 | 0.73 | CA4 (0.44) | CYP3A4TDP1ESR1ESR2CA4 | |
| SCHEMBL10792824 | 0.71 | CYP3A4 (0.35) | CYP3A4TDP1ESR1ESR2CA4 | |
| SCHEMBL27784492 | 0.70 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CA4 | |
| Methoxymethane SCHEMBL9622762 | 0.69 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2CA4 | |
| SCHEMBL187947 | 0.67 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0003897-A1 | Phosphinegold(I)salts, process for their preparation and compositions containing them | SMITHKLINE BECKMAN CORPORATION (US) | 1979-09-05 | — | — | EP | disclosed |