Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.66 |
| ▸ | LMNA | P02545 | 4/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.62 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.62 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 5/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2822334 | 0.98 | PRSS1 (0.64) | ALDH1A1CYP3A4LMNAHSD17B10PRSS1 | |
| SCHEMBL129099 | 0.94 | ALDH1A1 (0.60) | ALDH1A1CYP3A4LMNAHSD17B10PRSS1 | |
| SCHEMBL2919384 | 0.94 | ALDH1A1 (0.62) | ALDH1A1CYP3A4LMNAHSD17B10PRSS1 | |
| SCHEMBL3080567 | 0.92 | TSHR (0.60) | ALDH1A1CYP3A4LMNAHSD17B10PRSS1 | |
| SCHEMBL3745080 | 0.92 | PRSS1 (0.66) | ALDH1A1CYP3A4LMNAHSD17B10PRSS1 | |
| SCHEMBL3340116 | 0.92 | TSHR (0.60) | ALDH1A1CYP3A4LMNAHSD17B10PRSS1 | |
| SCHEMBL9249032 | 0.92 | TSHR (0.60) | ALDH1A1CYP3A4LMNAHSD17B10PRSS1 | |
| SCHEMBL16694074 | 0.92 | TSHR (0.60) | ALDH1A1CYP3A4LMNAHSD17B10PRSS1 | |
| SCHEMBL21296359 | 0.92 | PRSS1 (0.58) | ALDH1A1CYP3A4LMNAHSD17B10PRSS1 | |
| SCHEMBL20924147 | 0.92 | ALDH1A1 (0.77) | ALDH1A1CYP3A4LMNAHSD17B10PRSS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100298432-A1 | Cosmetic Compositions Containing Esters of 2-Butyloctanol | COGNIS IP MANAGEMENT GMBH (DE) | 2010-11-25 | — | — | US | disclosed |