Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 5/20 | 0.51 |
| ▸ | TACR1 | P25103 | 1/20 | 0.49 |
| ▸ | ATR | Q13535 | 1/20 | 0.46 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.46 |
| ▸ | STK4 | Q13043 | 1/20 | 0.46 |
| ▸ | STK3 | Q13188 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4675475 | 0.82 | CNR2 (0.53) | CNR2TACR1ATRATRIPSTK4 | |
| SCHEMBL4670474 | 0.80 | CNR2 (0.51) | CNR2TACR1ATRATRIPSTK4 | |
| SCHEMBL1399302 | 0.79 | CNR2 (0.50) | CNR2TACR1ATRATRIPSTK4 | |
| SCHEMBL1399464 | 0.77 | TACR1 (0.54) | CNR2TACR1ATRATRIPSTK4 | |
| SCHEMBL905379 | 0.75 | CYP1A2 (0.54) | CNR2TACR1STK4STK3CYP1A2 | |
| SCHEMBL7111358 | 0.75 | TACR1 (0.52) | CNR2TACR1STK4STK3CYP1A2 | |
| SCHEMBL4672501 | 0.74 | TACR1 (0.55) | CNR2TACR1STK4STK3CYP1A2 | |
| SCHEMBL17476479 | 0.74 | TACR1 (0.58) | CNR2TACR1ATRATRIPSTK4 | |
| SCHEMBL7111709 | 0.73 | TACR1 (0.54) | CNR2TACR1STK4STK3CYP1A2 | |
| SCHEMBL6991366 | 0.72 | TACR1 (0.54) | CNR2TACR1ATRATRIPSTK4 |
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-1103545-B1 | 2-(3,5-Bis-trifluoromethyl-phenyl)-N-methyl-N-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide | HOFFMANN LA ROCHE (CH) | 2003-11-05 | — | — | EP | disclosed |
| EP-1103545-A1 | 2-(3,5-Bis-trifluoromethyl-phenyl)-N-methyl-N-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide | F. HOFFMANN-LA ROCHE AG (CH) | 2001-05-30 | — | — | EP | disclosed |