Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20819318 | 0.90 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL1231292 | 0.83 | CYP1A2 (0.65) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL18041397 | 0.81 | SMN1; SMN2 (0.48) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL20819322 | 0.79 | SMN1; SMN2 (0.46) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL8059189 | 0.76 | CYP1A2 (0.68) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL7738359 | 0.76 | THRA (0.56) | MAOAMAOBTHRATHRBCYP19A1 | |
| SCHEMBL7024990 | 0.76 | SMN1; SMN2 (0.47) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL1027287 | 0.75 | MAOA (0.56) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL17494841 | 0.75 | MAOB (0.52) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL20819429 | 0.74 | GLS (0.48) | NAMPTHDAC1BCHE |
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-2019053617-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-03-21 | — | — | WO | disclosed |