Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 11/20 | 0.66 |
| ▸ | S1PR4 | O95977 | 8/20 | 0.66 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.66 |
| ▸ | S1PR5 | Q9H228 | 7/20 | 0.66 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.51 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.51 |
| ▸ | GPR183 | P32249 | 1/20 | 0.51 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.51 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.50 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4822061 | 0.97 | S1PR1 (0.70) | S1PR1S1PR4S1PR3S1PR5TNNC1 | |
| SCHEMBL4822056 | 0.97 | S1PR1 (0.70) | S1PR1S1PR4S1PR3S1PR5TNNC1 | |
| SCHEMBL1554624 | 0.96 | S1PR1 (0.73) | S1PR1S1PR4S1PR3S1PR5TNNC1 | |
| SCHEMBL3514080 | 0.96 | S1PR1 (0.73) | S1PR1S1PR4S1PR3S1PR5TNNC1 | |
| SCHEMBL7621645 | 0.96 | S1PR1 (0.73) | S1PR1S1PR4S1PR3S1PR5TNNC1 | |
| SCHEMBL23674394 | 0.96 | S1PR1 (0.73) | S1PR1S1PR4S1PR3S1PR5TNNC1 | |
| SCHEMBL3509655 | 0.96 | S1PR1 (0.73) | S1PR1S1PR4S1PR3S1PR5TNNC1 | |
| SCHEMBL30096682 | 0.96 | S1PR1 (0.73) | S1PR1S1PR4S1PR3S1PR5TNNC1 | |
| SCHEMBL296505 | 0.96 | S1PR1 (0.73) | S1PR1S1PR4S1PR3S1PR5TNNC1 | |
| SCHEMBL7615633 | 0.96 | S1PR1 (0.73) | S1PR1S1PR4S1PR3S1PR5TNNC1 |
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 |