Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | RET | P07949 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | HTR2B | P41595 | 3/20 | 0.46 |
| ▸ | HRH1 | P35367 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL653565 | 0.83 | CYP3A4 (0.63) | CYP3A4CYP1A2RETCYP2C19SLC6A2 | |
| SCHEMBL6705946 | 0.76 | BCHE (0.45) | CYP1A2CYP2C19LMNAHTR1AHTT | |
| SCHEMBL16938066 | 0.74 | CYP3A4 (0.54) | CYP3A4CYP1A2RETCYP2C19SLC6A2 | |
| SCHEMBL15908322 | 0.73 | CYP3A4 (0.50) | CYP3A4CYP1A2RETCYP2C19SLC6A2 | |
| SCHEMBL11202871 | 0.71 | CYP3A4 (0.50) | CYP3A4CYP1A2RETCYP2C19SLC6A2 | |
| SCHEMBL6962472 | 0.71 | CYP3A4 (0.54) | CYP3A4CYP1A2RETCYP2C19SLC6A2 | |
| SCHEMBL11202872 | 0.71 | CYP3A4 (0.50) | CYP3A4CYP1A2RETCYP2C19SLC6A2 | |
| SCHEMBL8936293 | 0.70 | CYP3A4 (0.49) | CYP3A4CYP1A2RETCYP2C19SLC6A2 | |
| SCHEMBL6736351 | 0.69 | SLC6A2 (0.56) | CYP3A4CYP1A2RETCYP2C19SLC6A2 | |
| SCHEMBL7815467 | 0.67 | CYP1A2 (0.41) | CYP3A4CYP1A2RETCYP2C19SLC6A2 |
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-1996031469-A1 | N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF | NOVO NORDISK A/S (DK) | 1996-10-10 | — | — | WO | disclosed |