Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 12/20 | 0.69 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.69 |
| ▸ | TNNC1 | P63316 | 6/20 | 0.69 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.69 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.69 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.69 |
| ▸ | GPR183 | P32249 | 1/20 | 0.69 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.69 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.59 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.59 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3393863 | 0.96 | S1PR1 (0.73) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL3391015 | 0.96 | S1PR1 (0.73) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL2010273 | 0.96 | S1PR1 (0.73) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL3389424 | 0.96 | S1PR1 (0.73) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL3393534 | 0.96 | S1PR1 (0.73) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| Hydrochloric Acid SCHEMBL8498173 | 0.96 | S1PR1 (0.71) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL3394918 | 0.96 | S1PR1 (0.73) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL3393258 | 0.96 | S1PR1 (0.73) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| SCHEMBL3393720 | 0.96 | S1PR1 (0.73) | S1PR1S1PR3TNNC1S1PR4S1PR5 | |
| Hydrochloric Acid SCHEMBL8496359 | 0.94 | S1PR1 (0.74) | S1PR1S1PR3TNNC1S1PR4S1PR5 |
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 |
|---|---|---|---|---|---|---|---|
| US-7612238-B2 | Such as (R)-2-amino-2-methyl-4-[4-(4,4,5,5,5-pentafluoro-pentyloxy)-phenyl]-butan-1-ol hydrochloride for treatment of disorders or diseases mediated by lymphocytes, and for treating acute or chronic transplant rejection or T-cell-mediated inflammatory or autoimmune diseases | NOVARTIS AG (CH) | 2009-11-03 | — | — | US | disclosed |