Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.45 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.45 |
| ▸ | ASPH | Q12797 | 1/20 | 0.44 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.42 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3633503 | 0.93 | PTGDR2 (0.54) | AKR1B1TDP1PTGDR2CXCL8ASPH | |
| SCHEMBL2550680 | 0.91 | PTGDR2 (0.56) | AKR1B1TDP1PTGDR2CXCL8PTGS2 | |
| Hydrochloric Acid SCHEMBL11528572 | 0.90 | PTGDR2 (0.55) | AKR1B1TDP1PTGDR2CXCL8PTGS2 | |
| SCHEMBL21767593 | 0.88 | AKR1B1 (0.46) | AKR1B1TDP1PTGDR2CXCL8ASPH | |
| SCHEMBL31071979 | 0.88 | AKR1B1 (0.46) | AKR1B1TDP1PTGDR2CXCL8ASPH | |
| SCHEMBL12281735 | 0.88 | SLC6A2 (0.57) | AKR1B1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1156415 | 0.86 | SLC6A2 (0.43) | AKR1B1PTGDR2ASPHKDM8SLC6A2 | |
| SCHEMBL11359967 | 0.83 | SLC6A2 (0.41) | AKR1B1PTGDR2ASPHKDM8SLC6A2 | |
| SCHEMBL28401893 | 0.81 | AKR1B1 (0.46) | AKR1B1TDP1CXCL8PTGS2AKR1B10 | |
| SCHEMBL17080017 | 0.79 | KDM4E (0.46) | PTGDR2ASPHKDM8SLC6A2SLC6A4 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3116877-A1 | CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS | Glaxosmithkline Intellectual Property (No. 2) Limited (GB) | 2017-01-18 | — | — | EP | disclosed |
| CN-103086859-B | 2,4-dihydroxyl-5,6-replaces-1-halogeno-benzene derivative, its synthetic method and application thereof | TSINGHUA UNIVERSITY (CN) | 2015-11-11 | — | — | CN | disclosed |
| WO-2015136463-A1 | CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2015-09-17 | — | — | WO | disclosed |
| WO-2015136463-A1 | CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2015-09-17 | — | — | WO | disclosed |
| CN-103086859-A | 2,4-dihydroxy-5,6-substituted-1-halogenobenzene derivative, synthesis method and application thereof | UNIV TSINGHUA | 2013-05-08 | — | — | CN | disclosed |
| US-6274583-B1 | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. | 2001-08-14 | — | — | US | disclosed |
| US-5977115-A | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0833637-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | MERCK & CO INC (US) | 1998-07-08 | — | — | EP | disclosed |
| EP-0833637-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | Merck & Co., Inc. (US) | 1998-04-08 | — | — | EP | disclosed |
| WO-1996040136-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | MERCK & CO., INC. (US) | 1996-12-19 | — | — | WO | disclosed |
| EP-0059685-A1 | Alpha-isopropyl or alpha-cyclopropylphenyl acetates, process for their preparation and their use in pest control | CIBA-GEIGY AG (CH) | 1982-09-08 | — | — | EP | disclosed |
| US-4294762-A | ESTERIFICATION, DEPHOSPHORIZATION | BAYER AKTIENGESELLSCHAFT (DE) | 1981-10-13 | — | — | US | disclosed |
| EP-0020988-A2 | Process for preparing alpha-cyano-benzyl esters; intermediates therefor and their preparation | BAYER AG (DE) | 1981-01-07 | — | — | EP | disclosed |