Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | ACACA | Q13085 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL3740342 | 0.91 | BLM (0.42) | GABRR1CYP1A2ACE2BLMLTA4H | |
| SCHEMBL3753187 | 0.88 | ACE2 (0.41) | GABRR1CYP1A2ACE2BLMLTA4H | |
| SCHEMBL3749501 | 0.87 | ACE2 (0.44) | GABRR1CYP1A2ACE2BLMLTA4H | |
| SCHEMBL3755248 | 0.87 | ACE2 (0.44) | GABRR1CYP1A2ACE2BLMLTA4H | |
| SCHEMBL3747170 | 0.87 | ACE2 (0.44) | GABRR1CYP1A2ACE2BLMLTA4H | |
| SCHEMBL3745276 | 0.83 | GABRR1 (0.34) | GABRR1CYP1A2ACE2BLM | |
| SCHEMBL3745238 | 0.81 | GABRR1 (0.38) | GABRR1CYP1A2ACE2BLMLTA4H | |
| SCHEMBL3753157 | 0.76 | BLM (0.41) | GABRR1CYP1A2ACE2BLMLTA4H | |
| SCHEMBL3740926 | 0.76 | ALDH1A1 (0.42) | CYP1A2CA2 | |
| SCHEMBL11797768 | 0.74 | GABRR1 (0.54) | GABRR1CYP1A2ACE2BLMLTA4H |
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 |