Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | LPAR3 | Q9UBY5 | 8/20 | 0.46 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.46 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27764790 | 0.82 | CYP3A4 (0.61) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL15389152 | 0.80 | CYP3A4 (0.64) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL29177519 | 0.80 | CYP3A4 (0.64) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL26559 | 0.80 | CYP3A4 (0.64) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL15249625 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL5519376 | 0.78 | CYP3A4 (0.61) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL945567 | 0.78 | CYP3A4 (0.61) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL11677508 | 0.78 | CYP3A4 (0.61) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL150664 | 0.78 | CYP3A4 (0.61) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| Bromide SCHEMBL11430321 | 0.78 | CYP3A4 (0.61) | CYP3A4LPAR3LPAR2LPAR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-109762016-B | Alkynyl phosphonic acid diaryl tin complex with anti-tumor activity and application thereof | 成都欣科医药有限公司 | 2021-03-16 | — | — | CN | disclosed |