Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.49 |
| ▸ | FAAH | O00519 | 8/20 | 0.43 |
| ▸ | CES1 | P23141 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.41 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5382441 | 1.00 | CES2 (0.49) | CES2FAAHCES1MEN1CYP1A2 | |
| SCHEMBL1098322 | 0.85 | LMNA (0.48) | MEN1KMT2AHSD17B10 | |
| SCHEMBL2166623 | 0.85 | LMNA (0.48) | MEN1KMT2AHSD17B10 | |
| SCHEMBL29151786 | 0.83 | SMN1; SMN2 (0.46) | MEN1KMT2AHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL4204297 | 0.82 | CES2 (0.45) | CES2FAAHCES1MEN1CYP1A2 | |
| 1-Heptanol SCHEMBL22557209 | 0.79 | LMNA (0.59) | CES2FAAHCES1MEN1CYP1A2 | |
| Nonanol SCHEMBL271357 | 0.79 | LMNA (0.59) | CES2FAAHCES1MEN1CYP1A2 | |
| 1-Hexanol SCHEMBL7731082 | 0.79 | LMNA (0.59) | CES2FAAHCES1MEN1CYP1A2 | |
| Octanol SCHEMBL374162 | 0.79 | LMNA (0.59) | CES2FAAHCES1MEN1CYP1A2 | |
| Heptane SCHEMBL1776021 | 0.79 | FAAH (0.58) | CES2FAAHCES1MEN1CYP1A2 |
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-6291679-B1 | REACTING 3-OXO-6-PHENYLCYCLOHEX-1-ENE-1-CARBOXYLATE WITH ENZYME FORMING OPTICAL ISOMER; TREATING WITH AMINE PROTECTED N-TRIALKYLSILYLMETHYL-N-(ALKOXYMETHYL)AMINE TO FORM PHENYLPERHYDROISOINDOLE-3A-CARBOXYLATE DERIVATIVE, CYCLIZATION | RHONE-POULENC RORER S.A. (FR) | 2001-09-18 | — | — | US | disclosed |