Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 12/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 11/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 6/20 | 0.43 |
| ▸ | AKT1 | P31749 | 2/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4818486 | 0.90 | S1PR1 (0.54) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL13614222 | 0.88 | CA12 (0.43) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL4817934 | 0.84 | S1PR1 (0.45) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL13614219 | 0.83 | CA12 (0.51) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL24816042 | 0.75 | CA12 (0.51) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL4729500 | 0.75 | CA12 (0.51) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL5756420 | 0.75 | CA12 (0.51) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL9218191 | 0.74 | CA12 (0.50) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL6342947 | 0.74 | CA12 (0.50) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL8951255 | 0.74 | CA12 (0.50) | CA12CA1CA7CA14AKT1 |
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 |