Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3542185 | 0.75 | ALDH1A1 (0.43) | ALDH1A1MAPTCYP3A4MEN1CYP2D6 | |
| SCHEMBL27153146 | 0.75 | PNMT (0.38) | — | |
| SCHEMBL15084239 | 0.72 | ALDH1A1 (0.41) | ALDH1A1MAPTCYP3A4MEN1CYP2D6 | |
| SCHEMBL28027267 | 0.72 | ALDH1A1 (0.41) | ALDH1A1MAPTCYP3A4MEN1CYP2D6 | |
| SCHEMBL13126041 | 0.71 | KMT2A (0.38) | KMT2AHTR2A | |
| SCHEMBL24317231 | 0.69 | ALDH1A1 (0.39) | ALDH1A1MAPTCYP3A4MEN1CYP2D6 | |
| SCHEMBL28205886 | 0.69 | HTR2A (0.37) | ALDH1A1MAPTCYP3A4MEN1CYP2D6 | |
| SCHEMBL27670183 | 0.68 | NPC1 (0.32) | — | |
| SCHEMBL27945208 | 0.68 | ALDH1A1 (0.38) | ALDH1A1MAPTCYP3A4MEN1CYP2D6 | |
| SCHEMBL24224352 | 0.68 | ALDH1A1 (0.38) | ALDH1A1MAPTCYP3A4MEN1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018134127-A1 | FUNGICIDAL PYRIDINE COMPOUNDS | BASF SE (DE) | 2018-07-26 | — | — | WO | disclosed |