Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.45 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.45 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.45 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.45 |
| ▸ | GPR183 | P32249 | 1/20 | 0.45 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.45 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13041615 | 0.83 | CYP2A6 (0.41) | CYP1A2CYP2A6S1PR1TNNC1S1PR3 | |
| SCHEMBL9183600 | 0.82 | TAAR1 (0.47) | CYP2A6TAAR1S1PR1TNNC1S1PR3 | |
| SCHEMBL904106 | 0.82 | S1PR1 (0.64) | CYP1A2CYP2A6TAAR1S1PR1TNNC1 | |
| SCHEMBL5428396 | 0.82 | TAAR1 (0.47) | CYP2A6TAAR1S1PR1TNNC1S1PR3 | |
| SCHEMBL9427612 | 0.79 | CYP1A2 (0.54) | CYP1A2CYP2A6TAAR1S1PR1TNNC1 | |
| SCHEMBL7622550 | 0.79 | S1PR1 (0.73) | S1PR1TNNC1S1PR3S1PR4S1PR5 | |
| SCHEMBL5989142 | 0.79 | S1PR1 (0.73) | S1PR1TNNC1S1PR3S1PR4S1PR5 | |
| SCHEMBL7615757 | 0.79 | S1PR1 (0.73) | S1PR1TNNC1S1PR3S1PR4S1PR5 | |
| SCHEMBL12696488 | 0.79 | S1PR1 (0.73) | S1PR1TNNC1S1PR3S1PR4S1PR5 | |
| SCHEMBL565320 | 0.78 | S1PR1 (0.60) | S1PR1TNNC1S1PR3S1PR4S1PR5 |
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 |