Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 7/20 | 0.50 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.50 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL296830 | 0.98 | S1PR1 (0.54) | S1PR1S1PR4S1PR3S1PR5KDM4E | |
| SCHEMBL12721394 | 0.96 | S1PR1 (0.56) | S1PR1S1PR4S1PR3S1PR5SMN1; SMN2 | |
| SCHEMBL1624956 | 0.96 | S1PR1 (0.56) | S1PR1S1PR4S1PR3S1PR5SMN1; SMN2 | |
| SCHEMBL688475 | 0.91 | PPARG (0.47) | S1PR1S1PR4S1PR3S1PR5ITGB3 | |
| SCHEMBL4816575 | 0.90 | FFAR1 (0.51) | S1PR1S1PR3 | |
| SCHEMBL3741361 | 0.88 | S1PR1 (0.44) | S1PR1S1PR4S1PR3S1PR5 | |
| SCHEMBL6258194 | 0.87 | S1PR1 (0.53) | S1PR1S1PR4S1PR3S1PR5KDM4E | |
| SCHEMBL6241196 | 0.86 | S1PR1 (0.55) | S1PR1S1PR4S1PR3S1PR5SMN1; SMN2 | |
| SCHEMBL6257363 | 0.86 | S1PR1 (0.55) | S1PR1S1PR4S1PR3S1PR5SMN1; SMN2 | |
| SCHEMBL6236920 | 0.86 | S1PR1 (0.55) | S1PR1S1PR4S1PR3S1PR5SMN1; SMN2 |
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 |