Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28689304 | 0.88 | CYP2D6 (0.49) | CYP2D6CYP1A2CYP2C19ALDH1A1ADRB2 | |
| SCHEMBL27622991 | 0.85 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP2C19ALDH1A1ADRB2 | |
| SCHEMBL1334578 | 0.82 | CYP2D6 (0.49) | CYP2D6CYP1A2CYP2C19ALDH1A1ADRB2 | |
| SCHEMBL28970002 | 0.80 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19ALDH1A1ADRB2 | |
| SCHEMBL1784502 | 0.78 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19ALDH1A1ADRB2 | |
| SCHEMBL573646 | 0.78 | CYP2D6 (0.50) | CYP2D6CYP1A2CYP2C19ALDH1A1TDP1 | |
| SCHEMBL561394 | 0.77 | ALDH1A1 (0.60) | CYP2D6CYP1A2CYP2C19ALDH1A1ADRB2 | |
| Benzoic Acid SCHEMBL19991298 | 0.77 | CYP2D6 (0.49) | CYP2D6CYP1A2CYP2C19ALDH1A1ADRB2 | |
| SCHEMBL1786955 | 0.77 | CYP2D6 (0.49) | CYP2D6CYP1A2CYP2C19ALDH1A1ADRB2 | |
| Benzoic Acid SCHEMBL9856616 | 0.76 | TSHR (0.47) | CYP2D6CYP1A2CYP2C19ALDH1A1TSHR |
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-0416822-A2 | Stain-resistant plasticizer compositions and method of making same | VELSICOL CHEMICAL CORPORATION (US) | 1991-03-13 | — | — | EP | claimed |