Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL115842 | 0.98 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| Hydrochloric Acid SCHEMBL9810632 | 0.91 | CYP3A4 (0.35) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL28791530 | 0.86 | CYP3A4 (0.35) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL23843916 | 0.85 | CYP3A4 (0.33) | CYP3A4TDP1TAAR1SLC6A2 | |
| SCHEMBL9516332 | 0.85 | CYP3A4 (0.33) | CYP3A4TDP1TAAR1SLC6A2 | |
| SCHEMBL662184 | 0.83 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL8966352 | 0.83 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL7049252 | 0.83 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL3804292 | 0.83 | KCNN4 (0.32) | CYP3A4TDP1KCNN4CYP2C19 | |
| SCHEMBL9249942 | 0.83 | CYP3A4 (0.32) | CYP3A4TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114181250-A | Alkenyl phosphine compound and preparation method thereof | 中国石油化工股份有限公司 | 2022-03-15 | — | — | CN | claimed |
| CN-114181250-A | Alkenyl phosphine compound and preparation method thereof | 中国石油化工股份有限公司 | 2022-03-15 | — | — | CN | disclosed |