Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 7/20 | 0.65 |
| ▸ | TDO2 | P48775 | 7/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11862661 | 0.87 | IDO1 (0.50) | IDO1TDO2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL31395293 | 0.85 | IDO1 (0.49) | IDO1TDO2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL1928305 | 0.83 | IDO1 (0.69) | IDO1TDO2CYP2C19CYP3A4IDO2 | |
| SCHEMBL461448 | 0.78 | IDO1 (0.47) | IDO1TDO2OPRM1CHRM2ADRA2A | |
| SCHEMBL14361130 | 0.78 | ESR1 (0.59) | IDO1TDO2CYP2C19CYP3A4IDO2 | |
| SCHEMBL1952981 | 0.76 | GABRA1 (0.48) | IDO1TDO2CYP2C19IDO2OPRM1 | |
| SCHEMBL23296602 | 0.75 | IDO1 (0.46) | IDO1TDO2OPRM1CHRM2ADRA2A | |
| SCHEMBL1773224 | 0.75 | SLC6A4 (0.54) | IDO1TDO2ALDH1A1OPRM1CHRM2 | |
| SCHEMBL6325 | 0.74 | CYP2C19 (0.44) | IDO1TDO2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL29369499 | 0.74 | CYP2C19 (0.44) | IDO1TDO2CYP2C19CYP3A4ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4301292-A | 1-[2-(4,5-Dihydro-4,4-dialkyl-2-oxazolyl)phenyl]-4-(dialkylamino)cyclohexanol | HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) | 1981-11-17 | — | — | US | disclosed |
| US-4292243-A | 3\"-Phenyldispiro[1,3-dioxolane-2,4'-cyclohexane-1',1\"-(3\"H)-isobenzofuran] | HOECHST ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1981-09-29 | — | — | US | disclosed |
| US-4292245-A | 3'-Phenylspiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-one | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1981-09-29 | — | — | US | disclosed |
| US-4290958-A | Spiro[cyclohexane-1,1'(3'H)-isobenzofuran]s | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1981-09-22 | — | — | US | disclosed |
| US-4288623-A | 1-Aryl-4-amino-cyclohexan-1-ols | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1981-09-08 | — | — | US | disclosed |
| EP-0027522-A1 | Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)s, processes and intermediates for their preparation and pharmaceutical compositions containing them | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1981-04-29 | — | — | EP | disclosed |
| US-3959475-A | ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC | AMERICAN HOECHST CORPORATION (US) | 1976-05-25 | — | — | US | disclosed |
| US-3957828-A | 3-Aminoalkyl-1,3-dihydro-3-phenylspiro[isobenzofurans] | AMERICAN HOECHST CORPORATION (US) | 1976-05-18 | — | — | US | disclosed |