Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 2/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | RARG | P13631 | 1/20 | 0.35 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | LPL | P06858 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL14193595 | 0.83 | TRPA1 (0.41) | TRPA1RARBRARARARGMAP2K2 | |
| SCHEMBL21971017 | 0.83 | TRPA1 (0.41) | TRPA1RARBRARARARGMAP2K2 | |
| SCHEMBL3340113 | 0.81 | CES2 (0.50) | — | |
| SCHEMBL669282 | 0.77 | RARB (0.54) | TRPA1RARBRARARARGMAP2K2 | |
| SCHEMBL13631338 | 0.76 | IDO1 (0.44) | TRPA1RARBRARARARGMAP2K2 | |
| SCHEMBL14011194 | 0.76 | MAOB (0.54) | TRPA1RARBRARARARGMAP2K2 | |
| SCHEMBL10211142 | 0.74 | DGAT1 (0.55) | TRPA1RARBRARARARGMAP2K2 | |
| SCHEMBL667823 | 0.74 | ALDH1A1 (0.47) | TRPA1RARBRARARARGMAP2K2 | |
| SCHEMBL24666311 | 0.74 | ALDH1A1 (0.38) | TRPA1 | |
| SCHEMBL18522133 | 0.74 | TRPA1 (0.36) | TRPA1RARBRARARARGMAP2K2 |
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-2018089904-A1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | 3-V BIOSCIENCES, INC. (US) | 2018-05-17 | — | — | WO | disclosed |