Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.38 |
| ▸ | CHRNG | P07510 | 1/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CHRND | Q07001 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25843 | 0.88 | NPC1 (0.44) | NPC1RAB9AMAPTCHRNA1CHRNG | |
| SCHEMBL29187445 | 0.79 | SRD5A1 (0.41) | STSIDO1 | |
| SCHEMBL27915269 | 0.79 | SRD5A1 (0.41) | STSIDO1 | |
| SCHEMBL28828570 | 0.78 | DHODH (0.37) | STS | |
| SCHEMBL15630855 | 0.77 | NPC1 (0.47) | NPC1RAB9AMAPTCHRNA1CHRNG | |
| SCHEMBL29187437 | 0.76 | LRRK2 (0.45) | AKR1C3DRD2DRD3 | |
| SCHEMBL29187438 | 0.76 | LRRK2 (0.45) | AKR1C3DRD2DRD3 | |
| SCHEMBL2175357 | 0.75 | IDO1 (0.61) | CA1CA2DRD2DRD3CHRM4 | |
| SCHEMBL32779 | 0.75 | NPC1 (0.49) | NPC1RAB9AMAPTCHRNA1CHRNG | |
| SCHEMBL28828589 | 0.75 | CYP17A1 (0.46) | — |
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-103038213-A | Process for the preparation of pyrrolines from gamma-nitroketones, use of the gamma-nitroketones as pesticidal agents | BAYER CROPSCIENCE AG | 2013-04-10 | — | — | CN | disclosed |
| WO-2012034957-A1 | PESTICIDAL PYRROLINE N-OXIDE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2012-03-22 | — | — | WO | disclosed |