Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL92864 | 0.82 | LMNA (0.37) | ACHELMNAHTTKMT2ANPC1 | |
| SCHEMBL14138229 | 0.78 | CES2 (0.34) | CYP3A4LMNAHTTNPC1RAB9A | |
| SCHEMBL16502301 | 0.77 | ACHE (0.35) | TRPA1CYP3A4ACHELMNAKMT2A | |
| SCHEMBL1022418 | 0.77 | CYP3A4 (0.63) | TRPA1CYP3A4ACHELMNAKMT2A | |
| SCHEMBL27596496 | 0.77 | SMN1; SMN2 (0.35) | TRPA1CYP3A4ACHELMNAKMT2A | |
| SCHEMBL2662650 | 0.76 | GAA (0.45) | TRPA1CYP3A4LMNAHTTKMT2A | |
| SCHEMBL12493935 | 0.76 | CES2 (0.43) | CYP3A4LMNAKMT2ANPC1RAB9A | |
| SCHEMBL6050007 | 0.74 | CYP3A4 (0.50) | TRPA1CYP3A4LMNAHTTKMT2A | |
| SCHEMBL10228514 | 0.73 | TRPA1 (0.35) | TRPA1CYP3A4LMNAHTTGAA | |
| SCHEMBL3729165 | 0.73 | TRPA1 (0.35) | TRPA1CYP3A4ACHEHTTKMT2A |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108640863-A | Process for preparing bis (3-aminophenyl) disulfide and 3-aminothiol | 拜尔农作物科学股份公司 | 2018-10-12 | — | — | CN | claimed |
| CN-108640863-A | Process for preparing bis (3-aminophenyl) disulfide and 3-aminothiol | 拜尔农作物科学股份公司 | 2018-10-12 | — | — | CN | disclosed |
| CN-108349981-A | Novel pyrazolo [3, 4-d ] pyrimidine compound or salt thereof | 大鹏药品工业株式会社 | 2018-07-31 | — | — | CN | disclosed |
| CN-108341774-A | Substituted quinolinones inhibitor | 北京赛林泰医药技术有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-104854085-B | Process for preparing bis (3-aminophenyl) disulfide and 3-aminothiol | 拜尔农作物科学股份公司 | 2018-06-01 | — | — | CN | disclosed |
| CN-108069958-A | A kind of nitrogen-containing hetero cyclics, its preparation method, pharmaceutical composition and application | 凯惠科技发展(上海)有限公司 | 2018-05-25 | — | — | CN | disclosed |
| CN-108069959-A | A kind of nitrogen-containing hetero cyclics, its preparation method, pharmaceutical composition and application | 凯惠科技发展(上海)有限公司 | 2018-05-25 | — | — | CN | disclosed |
| CN-107106561-A | Heparan sulfate biosynthesis inhibitor for treating disease | 生物马林药物股份有限公司 | 2017-08-29 | — | — | CN | disclosed |
| WO-2016112088-A1 | ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS | SPERO THERAPEUTICS, INC. (US) | 2016-07-14 | — | — | WO | disclosed |
| US-8334315-B2 | Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands | GRUENENTHAL GMBH (DE) | 2012-12-18 | — | — | US | disclosed |
| US-8039639-B2 | Kinase inhibitors and methods of use thereof | ARRAY BIOPHARMA INC. (US) | 2011-10-18 | — | — | US | disclosed |
| US-20110124878-A1 | KINASE INHIBITORS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2011-05-26 | — | — | US | disclosed |
| US-20110003795-A1 | Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands | GRUENENTHAL GMBH (DE) | 2011-01-06 | — | — | US | disclosed |
| US-20100130468-A1 | INDOLE CARBOXAMIDES AS IKK2 INHIBITORS | GLAXOSMITHKLINE LLC | 2010-05-27 | — | — | US | disclosed |
| US-20080076924-A1 | Piperazines as P2X7 antagonists | ABBOTT LABORATORIES | 2008-03-27 | — | — | US | disclosed |
| US-20080076752-A1 | substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein | ASTRAZENECA AB (SE) | 2008-03-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110003795-A1 | Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands | TRPV1, UTS2R, CNR2 | TRPA1 6/4885CYP3A4 323/4885ACHE 2279/4885 |
| US-20080076752-A1 | substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein | APP, BACE1, PSEN1 | TRPA1 537/4885CYP3A4 988/4885ACHE 41/4885 |
| US-20100130468-A1 | INDOLE CARBOXAMIDES AS IKK2 INHIBITORS | IDO2, IDO1, NFKBIA | TRPA1 1962/4885CYP3A4 1516/4885ACHE 2094/4885 |
| US-20110124878-A1 | KINASE INHIBITORS AND METHODS OF USE THEREOF | MAP3K19, MAP3K2, MAP3K20 | TRPA1 4532/4885CYP3A4 1146/4885ACHE 3904/4885 |
| US-20080076924-A1 | Piperazines as P2X7 antagonists | P2RX7, P2RX1, P2RX2 | TRPA1 20/4885CYP3A4 696/4885ACHE 2998/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.