Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 13/20 | 0.57 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.57 |
| ▸ | TNNC1 | P63316 | 6/20 | 0.57 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.57 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.57 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.57 |
| ▸ | GPR183 | P32249 | 1/20 | 0.57 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.57 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.43 |
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 SCHEMBL27947415 | 0.98 | S1PR1 (0.58) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL9969430 | 0.82 | SMN1; SMN2 (0.38) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL24430201 | 0.82 | S1PR1 (0.56) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL5565002 | 0.79 | S1PR1 (0.64) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL9891039 | 0.78 | S1PR1 (0.69) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL17427769 | 0.78 | S1PR1 (0.74) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL19941369 | 0.78 | NOS1 (0.53) | — | |
| SCHEMBL904106 | 0.78 | S1PR1 (0.64) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL8498860 | 0.76 | S1PR1 (0.61) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL19938064 | 0.76 | PLK1 (0.48) | — |
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-102887834-A | 1-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-1-acetoxime and use thereof | SHANGHAI BIO SUITE CO LTD | 2013-01-23 | — | — | CN | disclosed |