Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | LSS | P48449 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GRB2 | P62993 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1695141 | 0.82 | MTOR (0.58) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL4618832 | 0.79 | EPHX2 (0.68) | CYP1A2CYP2C19LMNARAB9AEPHX2 | |
| SCHEMBL19925323 | 0.79 | EPHX2 (0.48) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL26119530 | 0.79 | EPHX2 (0.48) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL26119278 | 0.78 | MLYCD (0.52) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL19925289 | 0.78 | EPHX2 (0.44) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL11533429 | 0.78 | CYP2C9 (0.65) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL18585658 | 0.77 | AKR1B1 (0.52) | TSHRLMNAEPHX2NR1H4ALDH1A1 | |
| SCHEMBL26382764 | 0.75 | POLB (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL3577345 | 0.75 | LMNA (0.60) | CYP1A2CYP2C19LMNARAB9AEPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018042342-A1 | 1,2,3-BENZOTRIAZOLE DERIVATIVES AS ROR GAMMA T MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-03-08 | — | — | WO | disclosed |