Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1198451 | 0.88 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C19AOC3 | |
| SCHEMBL28288159 | 0.86 | SLC2A1 (0.48) | ALDH1A1CYP1A2CYP2D6CYP2C19MMP1 | |
| SCHEMBL11079771 | 0.86 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2D6CYP2C19AOC3 | |
| SCHEMBL5652935 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19AOC3 | |
| SCHEMBL21465820 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19AOC3 | |
| SCHEMBL24241906 | 0.81 | MMP13 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL7941239 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19AOC3 | |
| SCHEMBL14432534 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2D6CYP2C19AOC3 | |
| SCHEMBL6568913 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL7411654 | 0.80 | AOC3 (0.48) | ALDH1A1AOC3L3MBTL1TAS1R3TAS1R1 |
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-5077291-A | FUNGICIDAL TRISUBSTITUTED 1,3,5-TRIAZINE-2,4,6-TRIONES | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | disclosed |