Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.45 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.42 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9461100 | 1.00 | CYP1A2 (0.47) | CYP1A2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL79528 | 0.82 | ALDH1A1 (0.52) | CYP1A2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL79527 | 0.82 | ALDH1A1 (0.52) | CYP1A2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL9661520 | 0.80 | AHR (0.46) | CYP1A2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL9661512 | 0.80 | AHR (0.46) | CYP1A2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL5682382 | 0.78 | AHR (0.45) | CYP1A2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL2089769 | 0.78 | CYP1A2 (0.47) | CYP1A2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL2089767 | 0.78 | CYP1A2 (0.47) | CYP1A2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL8325205 | 0.78 | AHR (0.45) | CYP1A2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL13824133 | 0.78 | KCNH2 (0.53) | CYP1A2AHRGRIK1GRIK2GRIK3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115772063-A | Preparation process and method of chloro (bromo) styrene | 中国科学院大连化学物理研究所 | 2023-03-10 | — | — | CN | disclosed |
| EP-3768260-A1 | OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2021-01-27 | — | — | EP | disclosed |
| WO-2019182925-A1 | OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | GENENTECH, INC. (US) | 2019-09-26 | — | — | WO | disclosed |
| EP-3262026-A1 | NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2018-01-03 | — | — | EP | disclosed |
| EP-3116880-A1 | PYRIDIN-3-YL ACETIC ACID MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2017-01-18 | — | — | EP | disclosed |
| WO-2016135070-A1 | NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-01 | — | — | WO | disclosed |
| WO-2015127003-A1 | PYRIDIN-3-YL ACETIC ACID MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |
| CN-104450852-A | Method for preparing homoallylic alcohol compound | UNIV NINGXIA | 2015-03-25 | — | — | CN | disclosed |
| US-5232916-A | Inhibitors of leukotriene synthesis | MERCK FROSST CANADA, INC. (CA) | 1993-08-03 | — | — | US | disclosed |
| US-5102881-A | Leukotriene biosynthesis inhibitor | MERCK FROSST CANADA, INC. (CA) | 1992-04-07 | — | — | US | disclosed |
| EP-0349062-A1 | Quinoline ether alkanoic acid | MERCK FROSST CANADA INC. (CA) | 1990-01-03 | — | — | EP | disclosed |