Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.38 |
| ▸ | AR | P10275 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11031351 | 0.78 | ABCC9 (0.53) | PDK1PDK2PDK3PDK4AR | |
| SCHEMBL10979529 | 0.68 | MAPT (0.40) | NR1H2NR1H3PDK1PDK2PDK3 | |
| SCHEMBL10975838 | 0.66 | ABCC9 (0.64) | PDK1PDK2PDK3PDK4AR | |
| SCHEMBL11031347 | 0.65 | AR (0.36) | VCAM1PDK1PDK2PDK3PDK4 | |
| SCHEMBL7526150 | 0.63 | MAPT (0.66) | VCAM1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3725092 | 0.63 | TSHR (0.50) | VCAM1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7642508 | 0.63 | VCAM1 (0.58) | VCAM1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL10602642 | 0.63 | MAPT (0.60) | VCAM1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL5692532 | 0.62 | PGR (0.43) | VCAM1CYP3A4MAPTMAPK1 | |
| SCHEMBL7786423 | 0.62 | AR (0.47) | AR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0002892-B1 | AMIDE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL OR VETERINARY COMPOSITIONS CONTAINING THEM | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-02-06 | — | — | EP | claimed |