Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.33 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KDM6B | O15054 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.33 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL480056 | 0.83 | BDKRB1 (0.42) | PTGER4BDKRB1KMO | |
| SCHEMBL733519 | 0.81 | SLC6A3 (0.39) | PDK2PTGER4BDKRB1KDM4EKDM6B | |
| SCHEMBL733518 | 0.80 | KDM4E (0.39) | PDK2LOXL2KDM4EKDM6BKDM5C | |
| SCHEMBL480017 | 0.79 | KDM4E (0.39) | PDK2LOXL2KDM4EKDM6BKDM5C | |
| SCHEMBL754770 | 0.76 | KMO (0.43) | PDK2LOXL2KDM4CKMO | |
| SCHEMBL479917 | 0.76 | KMO (0.43) | PDK2LOXL2KDM4CKMO | |
| SCHEMBL837203 | 0.74 | CHEK1 (0.39) | CYP2C8LOXL2KDM4EKDM4CKMO | |
| SCHEMBL15789725 | 0.72 | KMO (0.38) | LOXL2KDM4CKMOSRD5A2 | |
| SCHEMBL480633 | 0.69 | SLC6A3 (0.42) | PDK2BDKRB1ROCK2ROCK1 | |
| SCHEMBL755473 | 0.68 | ROCK2 (0.39) | PDK2KDM4EROCK2ROCK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411361-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |