Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13334327 | 0.80 | ACHE (0.35) | ALDH1A1TSHRCYP3A4LMNAHTT | |
| SCHEMBL28051432 | 0.79 | MEN1 (0.40) | ALDH1A1MAPK1HSD17B10LMNAHTT | |
| SCHEMBL28191051 | 0.77 | ALDH1A1 (0.35) | ALDH1A1LMNAHTT | |
| SCHEMBL28051550 | 0.77 | — | — | |
| SCHEMBL14470991 | 0.74 | ALDH1A1 (0.33) | ALDH1A1TP53TSHRMAPK1HIF1A | |
| SCHEMBL28174120 | 0.74 | BRD4 (0.38) | ALDH1A1TP53TSHRMAPK1HIF1A | |
| SCHEMBL22914760 | 0.74 | CYP3A4 (0.34) | CYP3A4TRPA1LMNAHTT | |
| SCHEMBL6050007 | 0.72 | CYP3A4 (0.50) | ALDH1A1TP53TSHRMAPK1HIF1A | |
| SCHEMBL17366351 | 0.71 | ALDH1A1 (0.36) | ALDH1A1TP53TSHRMAPK1HIF1A | |
| SCHEMBL24541493 | 0.71 | ALDH1A1 (0.35) | ALDH1A1TP53TSHRMAPK1HIF1A |
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-2013010882-A2 | 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-01-24 | — | — | WO | disclosed |