Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.76 |
| ▸ | DGKA | P23743 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | NAAA | Q02083 | 1/20 | 0.54 |
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL20638505 | 0.97 | ALDH1A1 (0.80) | ALDH1A1DGKATSHRNAAAFAAH | |
| SCHEMBL131668 | 0.92 | ALDH1A1 (0.81) | ALDH1A1DGKATSHRNAAAFAAH | |
| Dodecylacetate SCHEMBL5185225 | 0.92 | ALDH1A1 (0.81) | ALDH1A1DGKATSHRNAAAFAAH | |
| Dodecylacetate SCHEMBL159219 | 0.92 | ALDH1A1 (0.81) | ALDH1A1DGKATSHRNAAAFAAH | |
| SCHEMBL21044757 | 0.92 | ALDH1A1 (0.81) | ALDH1A1DGKATSHRNAAAFAAH | |
| Tridecylacetate SCHEMBL157239 | 0.92 | ALDH1A1 (0.81) | ALDH1A1DGKATSHRNAAAFAAH | |
| Decylacetate SCHEMBL155855 | 0.92 | ALDH1A1 (0.81) | ALDH1A1DGKATSHRNAAAFAAH | |
| Nonylacetate SCHEMBL309051 | 0.92 | ALDH1A1 (0.81) | ALDH1A1DGKATSHRNAAAFAAH | |
| Octyl Acetate SCHEMBL4344544 | 0.92 | ALDH1A1 (0.81) | ALDH1A1DGKATSHRNAAAFAAH | |
| Acetic Acid Butyl Ester SCHEMBL7070991 | 0.92 | ALDH1A1 (0.90) | ALDH1A1DGKATSHRNAAAFAAH |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0956287-B1 | 3-ARYL-2-(1-SUBSTITUTED-4-PIPERIDINYL)-1(1-DI)OXO-3H-BENZO D]-ISOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF NEUROTRANSMITTER FUNCTION | AVENTIS PHARMA INC (US) | 2003-08-13 | — | — | EP | disclosed |
| EP-0956287-A1 | 3-ARYL-2-(1-SUBSTITUTED-4-PIPERIDINYL)-1(1-DI)OXO-3H-BENZO D]-ISOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF NEUROTRANSMITTER FUNCTION | HOECHST MARION ROUSSEL, INC. (US) | 1999-11-17 | — | — | EP | disclosed |
| US-5972963-A | AN ANTIDEPRESSANT, MODULATORS OF NEUROTRANSMITTER FUNCTION SUCH AS SEROTONERGIC AND ADRENERGIC, DOPAMINERGIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-26 | — | — | US | disclosed |
| WO-1998028295-A1 | 3-ARYL-2-(1-SUBSTITUTED-4-PIPERIDINYL)-1(1-DI)OXO-3H-BENZO[D]-ISOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF NEUROTRANSMITTER FUNCTION | HOECHST MARION ROUSSEL, INC. (US) | 1998-07-02 | — | — | WO | disclosed |