Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 3/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7766011 | 0.86 | HRH3 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19BCHE | |
| SCHEMBL20462967 | 0.86 | TSHR (0.48) | CYP1A2CYP2D6CYP2C9CYP2C19BCHE | |
| SCHEMBL5699188 | 0.81 | ALDH1A1 (0.50) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL9885275 | 0.80 | HRH3 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19BCHE | |
| SCHEMBL13181462 | 0.80 | HRH3 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19BCHE | |
| SCHEMBL6406763 | 0.80 | ACHE (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19BCHE | |
| SCHEMBL12345478 | 0.79 | MAOB (0.39) | CYP1A2CYP2D6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL26686942 | 0.79 | TSHR (0.52) | CYP1A2CYP2D6CYP2C9CYP2C19BCHE | |
| SCHEMBL5500689 | 0.78 | ALDH1A1 (0.44) | CYP1A2CYP2D6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7930766 | 0.78 | MGLL (0.44) | CYP1A2MAPK1 |
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-1506157-A2 | AMINO-FUNCTIONAL CHALCONES | Lica Pharmaceuticals A/S (DK) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097575-A2 | AMINO-FUNCTIONAL CHALCONES | LICA PHARMACEUTICALS A/S (DK) | 2003-11-27 | — | — | WO | disclosed |