Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL10870393 | 1.00 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL11020117 | 1.00 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL27343 | 0.97 | CYP3A4 (0.50) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL8850573 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL1705969 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| Phosphine SCHEMBL25423478 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL9803502 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL723376 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL22749137 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL5075553 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 |
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-0164970-B1 | TUMOR CELL GROWTH-INHIBITING PHARMACEUTICAL COMPOSITIONS CONTAINING PHOSPHINO-HYDROCARBON-GOLD, SILVER OR COPPER COMPLEXES | SMITHKLINE BECKMAN CORPORATION (US) | 1989-04-19 | — | — | EP | disclosed |
| EP-0164970-A2 | Tumor cell growth-inhibiting pharmaceutical compositions containing phosphino-hydrocarbon-gold, silver or copper complexes | SMITHKLINE BECKMAN CORPORATION (US) | 1985-12-18 | — | — | EP | disclosed |