Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | NAAA | Q02083 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 5/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL5450365 | 0.92 | ALDH1A1 (0.78) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Octyl Acetate SCHEMBL10420076 | 0.90 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1CES2 | |
| Dodecylacetate SCHEMBL5185225 | 0.89 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1CES2 | |
| SCHEMBL131668 | 0.89 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1CES2 | |
| Decylacetate SCHEMBL155855 | 0.89 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1CES2 | |
| SCHEMBL55642 | 0.89 | ALDH1A1 (0.58) | ALDH1A1NAAATSHREPHX1LMNA | |
| Nonylacetate SCHEMBL309051 | 0.89 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1CES2 | |
| Octyl Acetate SCHEMBL4344544 | 0.89 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1CES2 | |
| Tridecylacetate SCHEMBL157239 | 0.89 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1CES2 | |
| SCHEMBL21044757 | 0.89 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2174967-B1 | Polyisocyanates suitable for the formulation of paints and varnishes with a low solvent content, and process for the preparation thereof | AZIONARIA PER L IND CHIMICA ITALIANA S A P I C I S P A SOC (IT) | 2013-02-20 | — | — | EP | disclosed |
| EP-2174967-A1 | Polyisocyanates suitable for the formulation of paints and varnishes with a low solvent content, and process for the preparation thereof | Societa' Azionaria per l'Industria Chimica Italiana S.A.P.I.C.I. S.p.A. (IT) | 2010-04-14 | — | — | EP | disclosed |