Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 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 | |
|---|---|---|---|---|
| SCHEMBL3686389 | 0.86 | PTGS1 (0.47) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL7970288 | 0.86 | CYP2C9 (0.59) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL30008257 | 0.84 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL8854338 | 0.84 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL9179728 | 0.81 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL9182253 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL9183390 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL3812731 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL1626161 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL9182581 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5017633-A | Oxidation resistance | SANDOZ LTD. (CH) | 1991-05-21 | — | — | US | disclosed |