Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 19/20 | 0.60 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.56 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.56 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.53 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28633782 | 0.92 | S1PR1 (0.61) | S1PR1S1PR3MAP4K4MINK1S1PR5 | |
| Hydrochloric Acid SCHEMBL28645680 | 0.92 | MAP4K4 (0.63) | S1PR1S1PR3MAP4K4MINK1S1PR5 | |
| SCHEMBL28925156 | 0.91 | S1PR1 (0.59) | S1PR1S1PR3S1PR5 | |
| SCHEMBL28632224 | 0.89 | S1PR1 (0.54) | S1PR1S1PR3MAP4K4MINK1S1PR5 | |
| SCHEMBL28633488 | 0.88 | S1PR1 (0.60) | S1PR1S1PR3MAP4K4MINK1S1PR5 | |
| SCHEMBL28926108 | 0.86 | S1PR1 (0.64) | S1PR1S1PR3MAP4K4MINK1S1PR5 | |
| SCHEMBL28631872 | 0.84 | S1PR1 (0.58) | S1PR1S1PR3MAP4K4MINK1S1PR5 | |
| SCHEMBL1967407 | 0.84 | MAP4K4 (0.78) | S1PR1S1PR3MAP4K4MINK1S1PR5 | |
| Hydrochloric Acid SCHEMBL28651669 | 0.84 | MAP4K4 (0.61) | S1PR1S1PR3MAP4K4MINK1S1PR5 | |
| Hydrochloric Acid SCHEMBL28647662 | 0.84 | S1PR1 (0.63) | S1PR1S1PR3MAP4K4MINK1S1PR5 |
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-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 |
| CN-107827837-B | Sphingosine-1-phosphate receptor modulator compounds, and preparation method and application thereof | 苏州朗科生物技术股份有限公司 | 2021-09-24 | — | — | CN | disclosed |