Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.57 |
| ▸ | S1PR5 | Q9H228 | 6/20 | 0.57 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28643666 | 0.92 | S1PR1 (0.59) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL28644795 | 0.90 | S1PR1 (0.59) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL28645811 | 0.88 | S1PR1 (0.57) | S1PR1S1PR5S1PR3 | |
| SCHEMBL28652140 | 0.88 | S1PR1 (0.61) | S1PR1S1PR5S1PR3 | |
| Hydrochloric Acid SCHEMBL28638108 | 0.87 | S1PR1 (0.60) | S1PR1S1PR5S1PR3 | |
| SCHEMBL28926070 | 0.85 | S1PR1 (0.59) | S1PR1S1PR5S1PR3 | |
| Hydrochloric Acid SCHEMBL28633394 | 0.83 | S1PR1 (0.57) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| SCHEMBL28633863 | 0.83 | S1PR1 (0.58) | S1PR1S1PR5S1PR3 | |
| Hydrochloric Acid SCHEMBL28643663 | 0.82 | S1PR1 (0.60) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL28636024 | 0.82 | S1PR1 (0.57) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 |
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-109956912-B | Carboxylic acid compound containing diphenyl oxadiazole, preparation method and medical application thereof | 中国医学科学院药物研究所 | 2021-10-22 | — | — | CN | disclosed |