Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Chlorotrianisene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | ESR1 | P03372 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 1/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 1/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 1.00 |
| ▸ | TCF4 | P15884 | 1/20 | 0.58 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 5/20 | 0.56 |
| ▸ | CA2 | P00918 | 5/20 | 0.56 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Chlorotrianisene SCHEMBL8225 | 1.00 | HPGD (1.00) | HPGDALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL8613998 | 0.92 | ESR1 (0.85) | HPGDALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL23358693 | 0.92 | ESR1 (0.85) | HPGDALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL23358692 | 0.92 | ESR1 (0.85) | HPGDALDH1A1SMN1; SMN2KDM4ELMNA | |
| Chlorotrianisene SCHEMBL4928327 | 0.90 | MAPT (0.81) | HPGDALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL12710298 | 0.87 | SMN1; SMN2 (0.76) | HPGDALDH1A1SMN1; SMN2KDM4ELMNA | |
| Chlorotrianisene SCHEMBL28258939 | 0.86 | ALDH1A1 (0.73) | HPGDALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL22773016 | 0.84 | TSHR (0.72) | HPGDALDH1A1SMN1; SMN2KDM4ELMNA | |
| Chlorotrianisene SCHEMBL5528225 | 0.83 | MAPT (0.69) | HPGDALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL2957320 | 0.83 | ALDH1A1 (0.70) | HPGDALDH1A1SMN1; SMN2KDM4ELMNA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2948198-A1 | TRANS-ARTERIAL DRUG DELIVERY | Abbott Cardiovascular Systems, Inc. (US) | 2015-12-02 | — | — | EP | disclosed |
| WO-2014117075-A1 | TRANS-ARTERIAL DRUG DELIVERY | ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) | 2014-07-31 | — | — | WO | disclosed |
| CN-1213021-C | N-hydroxy-2- (alkyl, aryl or heteroaryl sulfanyl, sulfinyl or sulfonyl) -3-substituted alkanes as matrix metalloproteinase inhibitors | WYETH HOLDING CO (US) | 2005-08-03 | — | — | CN | disclosed |
| CN-1291183-A | N-hydroxy-2- (alkyl, aryl or heteroaryl sulfanyl, sulfinyl or sulfonyl) -3 substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors | AMERICAN CYANAMID CO (US) | 2001-04-11 | — | — | CN | disclosed |
| EP-1054858-A1 | N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS | American Cyanamid Company (US) | 2000-11-29 | — | — | EP | disclosed |
| EP-0973512-A1 | N-HYDROXY-2-(ALKYL, ARYL OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS | American Cyanamid Company (US) | 2000-01-26 | — | — | EP | disclosed |
| EP-0970046-A1 | N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS | American Cyanamid Company (US) | 2000-01-12 | — | — | EP | disclosed |
| WO-1999042436-A1 | N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 1999-08-26 | — | — | WO | disclosed |
| WO-1998038163-A1 | N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 1998-09-03 | — | — | WO | disclosed |
| WO-1998037877-A1 | N-HYDROXY-2-(ALKYL, ARYL OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 1998-09-03 | — | — | WO | disclosed |