Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 13/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | TPH1 | P17752 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 SCHEMBL28647727 | 0.99 | S1PR1 (0.43) | S1PR1S1PR3AOC3MCHR1S1PR5 | |
| Hydrochloric Acid SCHEMBL28651679 | 0.88 | TPH1 (0.43) | S1PR1S1PR3S1PR5S1PR4TPH1 | |
| Hydrochloric Acid SCHEMBL28636012 | 0.86 | TPH1 (0.45) | S1PR1S1PR3MCHR1S1PR5S1PR4 | |
| SCHEMBL28638876 | 0.85 | TPH1 (0.43) | S1PR1S1PR3MCHR1S1PR5S1PR4 | |
| SCHEMBL28638873 | 0.85 | TPH1 (0.43) | S1PR1S1PR3MCHR1S1PR5S1PR4 | |
| Hydrochloric Acid SCHEMBL28651988 | 0.85 | S1PR1 (0.50) | S1PR1S1PR3S1PR5S1PR4TPH1 | |
| Hydrochloric Acid SCHEMBL28651685 | 0.84 | S1PR1 (0.45) | S1PR1S1PR3S1PR5S1PR4TPH1 | |
| Hydrochloric Acid SCHEMBL28652236 | 0.83 | S1PR1 (0.47) | S1PR1S1PR3S1PR5S1PR4TPH1 | |
| SCHEMBL28651999 | 0.82 | S1PR1 (0.55) | S1PR1S1PR3S1PR5FFAR1 | |
| SCHEMBL28656862 | 0.81 | S1PR1 (0.48) | S1PR1S1PR3MCHR1S1PR5S1PR4 |
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 |