Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 2/20 | 0.33 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.33 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL837634 | 0.86 | TRPV1 (0.38) | TRPV1KDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL479777 | 0.86 | TRPV1 (0.39) | TRPV1CSNK2A2CSNK2BCYP3A4 | |
| SCHEMBL752272 | 0.86 | TRPV1 (0.39) | TRPV1CSNK2A2CSNK2BCYP3A4 | |
| SCHEMBL480188 | 0.85 | KDM4E (0.36) | TRPV1KDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL15789783 | 0.84 | TRPV1 (0.38) | TRPV1GPBAR1CYP3A4 | |
| SCHEMBL480178 | 0.84 | TRPV1 (0.39) | TRPV1 | |
| SCHEMBL734642 | 0.83 | ALDH1A1 (0.37) | TRPV1CYP11B2KDM4EALDH1A1MAPT | |
| SCHEMBL480028 | 0.79 | P2RX7 (0.36) | TRPV1KDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL480023 | 0.74 | MRGPRX4 (0.42) | TRPV1SMN1; SMN2CYP3A4 | |
| SCHEMBL753267 | 0.74 | MRGPRX4 (0.42) | TRPV1SMN1; SMN2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2411361-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |