Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19018205 | 0.85 | NPC1 (0.61) | NPC1RAB9ANPSR1MAPK1ALDH1A1 | |
| SCHEMBL17980321 | 0.84 | NPC1 (0.49) | NPC1RAB9ANPSR1MAPK1ALDH1A1 | |
| SCHEMBL16276412 | 0.82 | RAB9A (0.47) | NPC1RAB9ANPSR1MAPK1ALDH1A1 | |
| SCHEMBL22423416 | 0.78 | ALDH1A1 (0.42) | NPC1RAB9ANPSR1MAPK1ALDH1A1 | |
| SCHEMBL12429213 | 0.78 | ALDH1A1 (0.48) | NPC1RAB9AMAPK1ALDH1A1KDM4E | |
| SCHEMBL24377663 | 0.76 | NPC1 (0.58) | NPC1RAB9ANPSR1MAPK1ALDH1A1 | |
| SCHEMBL24377931 | 0.75 | NPC1 (0.60) | NPC1RAB9ANPSR1MAPK1ALDH1A1 | |
| SCHEMBL2389422 | 0.73 | NPSR1 (0.41) | NPC1RAB9ANPSR1MAPK1ALDH1A1 | |
| SCHEMBL24377618 | 0.72 | NPC1 (0.57) | NPC1RAB9ANPSR1MAPK1ALDH1A1 | |
| SCHEMBL5234249 | 0.71 | NPSR1 (0.59) | NPC1RAB9ANPSR1MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3003042-B1 | HETEROCYCLIC COMPOUNDS AS PEST CONTROLLERS | BAYER CROPSCIENCE AG (DE) | 2017-06-21 | — | — | EP | disclosed |