Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.30 |
| ▸ | ACE | P12821 | 1/20 | 0.30 |
| ▸ | CPA1 | P15085 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3745238 | 0.84 | GABRR1 (0.38) | CYP2D6TSHRCYP2C19HIF1AGABRR1 | |
| SCHEMBL3753157 | 0.82 | BLM (0.41) | CYP2D6TSHRCYP2C19HIF1AGABRR1 | |
| SCHEMBL8259112 | 0.82 | TSHR (0.39) | CYP2D6TSHRCYP2C19HIF1AGABRR1 | |
| SCHEMBL3741056 | 0.80 | ACE2 (0.40) | GABRR1CYP1A2ACE2CA2MAPK1 | |
| SCHEMBL3753568 | 0.79 | ACE2 (0.42) | GABRR1CYP1A2ACE2CA2MAPK1 | |
| SCHEMBL3743448 | 0.79 | ACE2 (0.42) | GABRR1CYP1A2ACE2CA2MAPK1 | |
| SCHEMBL3749115 | 0.79 | ACE2 (0.50) | ACE2CA2MAPK1 | |
| SCHEMBL3750697 | 0.79 | ACE2 (0.42) | GABRR1CYP1A2ACE2CA2MAPK1 | |
| SCHEMBL3745276 | 0.78 | GABRR1 (0.34) | GABRR1CYP1A2ACE2MMEACE | |
| SCHEMBL27941875 | 0.76 | CYP2D6 (0.60) | CYP2D6TSHRCYP2C19HIF1AGABRR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9079850-B2 | Cosmetic compositions containing esters of 2-ethylbutanol | COGNIS IP MANAGEMENT GMBH (DE) | 2015-07-14 | — | — | US | disclosed |
| US-20100292328-A1 | Cosmetic Compositions Containing Esters of 2-ethylbutanol | COGNIS IP MANAGEMENT GMBH (DE) | 2010-11-18 | — | — | US | disclosed |