Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 3/20 | 0.35 |
| ▸ | RARB | P10826 | 3/20 | 0.35 |
| ▸ | RARG | P13631 | 3/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27918513 | 0.89 | RARA (0.31) | RARARARBRARGRXRANR2E1 | |
| SCHEMBL31678744 | 0.65 | NPC1 (0.51) | ALDH1A1NPC1RAB9ACYP19A1 | |
| SCHEMBL18530055 | 0.63 | LPL (0.34) | RARARARBRARGALDH1A1MAPK1 | |
| SCHEMBL31088524 | 0.60 | SIGMAR1 (0.41) | ALDH1A1 | |
| SCHEMBL3898053 | 0.59 | ALDH1A1 (0.42) | ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL4331066 | 0.59 | ALDH1A1 (0.42) | ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL22780739 | 0.58 | RARA (0.35) | RARARARBRARGRXRANR2E1 | |
| SCHEMBL24054446 | 0.58 | ALDH1A1 (0.43) | ALDH1A1MAPK1NPC1RAB9A | |
| Biphenyl SCHEMBL120429 | 0.56 | ALDH1A1 (0.75) | ALDH1A1MAPK1NPC1RAB9A | |
| Biphenyl SCHEMBL10610825 | 0.53 | ALDH1A1 (0.69) | ALDH1A1MAPK1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105209452-A | 4-amino-6- (heterocyclyl) pyridine-2-carboxylic acid esters and 6-amino-2- (heterocyclyl) pyrimidine-4-carboxylic acid esters and their use as herbicides | DOW AGROSCIENCES LLC | 2015-12-30 | — | — | CN | disclosed |
| CN-105209451-A | 4-amino-6- (heterocyclyl) pyridine-2-carboxylic acid esters and 6-amino-2-2 (heterocyclyl) pyrimidine-4-carboxylic acid esters and their use as herbicides | DOW AGROSCIENCES LLC | 2015-12-30 | — | — | CN | disclosed |