Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | STS | P08842 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25014454 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHR | |
| SCHEMBL23912277 | 0.77 | DRD1 (0.44) | ALDH1A1CYP2A6TRIM24TRIM33 | |
| SCHEMBL195687 | 0.73 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TYRCYP2A13HSD17B10 | |
| SCHEMBL224829 | 0.72 | ALDH1A1 (0.64) | ALDH1A1CYP2A6TYRCYP2A13HSD17B10 | |
| SCHEMBL6853611 | 0.72 | ALDH1A1 (0.64) | ALDH1A1CYP2A6TYRCYP2A13HSD17B10 | |
| SCHEMBL31171 | 0.71 | CYP2A6 (0.69) | ALDH1A1CYP2A6TYRCYP2A13HSD17B10 | |
| SCHEMBL4956384 | 0.71 | CYP2A6 (0.69) | ALDH1A1CYP2A6TYRCYP2A13HSD17B10 | |
| SCHEMBL13271224 | 0.70 | ACHE (0.44) | ALDH1A1 | |
| SCHEMBL24140273 | 0.69 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHR | |
| SCHEMBL20904129 | 0.69 | ALDH1A1 (0.58) | ALDH1A1CYP2A6TYRCYP2A13HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017216727-A1 | SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-12-21 | — | — | WO | disclosed |
| WO-2017216726-A1 | SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-12-21 | — | — | WO | disclosed |