Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 3/20 | 0.39 |
| ▸ | CTSS | P25774 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13614220 | 0.88 | CA12 (0.44) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL3739193 | 0.83 | CTSV (0.42) | CTSLNPC1MAPTRAB9A | |
| SCHEMBL3738559 | 0.82 | ALDH1A1 (0.39) | CA1AAK1 | |
| SCHEMBL13614219 | 0.81 | CA12 (0.51) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL4818486 | 0.79 | S1PR1 (0.54) | PPARG | |
| SCHEMBL86584 | 0.76 | AAK1 (0.40) | AAK1PPARGPPARA | |
| SCHEMBL86443 | 0.76 | AAK1 (0.39) | AAK1PPARGPPARA | |
| SCHEMBL86253 | 0.76 | AAK1 (0.39) | AAK1PPARGPPARA | |
| SCHEMBL295919 | 0.76 | S1PR1 (0.41) | AAK1 | |
| SCHEMBL13851949 | 0.75 | S1PR1 (0.52) | AAK1 |
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 |