Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pyrrole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Pyrrole SCHEMBL28121315 | 0.97 | FFAR3 (0.41) | FFAR3LCKFYNALDH1A1 | |
| Pyrrole SCHEMBL311019 | 0.97 | — | — | |
| Acetic Acid SCHEMBL27669193 | 0.97 | FFAR3 (0.47) | FFAR3LCKFYNALDH1A1CES2 | |
| Pyrrole SCHEMBL3807182 | 0.87 | — | — | |
| Pyrrole SCHEMBL28161544 | 0.85 | ALDH1A1 (0.35) | FFAR3LCKFYNALDH1A1LMNA | |
| Piperazine SCHEMBL3548665 | 0.84 | KMT2A (0.40) | FFAR3LCKFYN | |
| Pyrrole SCHEMBL11344690 | 0.83 | — | — | |
| Pyrrole SCHEMBL9980539 | 0.81 | — | — | |
| Pyrrole SCHEMBL6770118 | 0.81 | — | — | |
| Pyrrole SCHEMBL11388094 | 0.80 | CA1 (0.36) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109329286-B | Binary Herbicidal combinations and its application comprising HPPD inhibitor class herbicide | 青岛清原化合物有限公司 | 2019-11-08 | — | — | CN | disclosed |
| CN-109964943-A | Herbicidal combinations and its application comprising pyrimidine formoxyl oxime compound | 江苏清原农冠杂草防治有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-109526973-A | Ternary weeding composition containing xaflufen-ethyl and application thereof | 青岛清原化合物有限公司 | 2019-03-29 | — | — | CN | disclosed |
| CN-109497075-A | Ternary weeding composition and its application comprising trifludimoxazin | 青岛清原化合物有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-109479888-A | Ternary weeding composition and its application comprising cyclopyrimorate | 青岛清原化合物有限公司 | 2019-03-19 | — | — | CN | disclosed |
| CN-109418274-A | A kind of ternary weeding composition and its application | 青岛清原化合物有限公司 | 2019-03-05 | — | — | CN | disclosed |
| CN-109329286-A | Binary Herbicidal combinations and its application comprising HPPD inhibitor class herbicide | 青岛清原化合物有限公司 | 2019-02-15 | — | — | CN | disclosed |
| CN-109042675-A | Ternary herbicidal composition containing HPPD inhibitor herbicide and application thereof | 青岛清原化合物有限公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-108990998-A | A kind of Herbicidal combinations and its application containing trichlopyr and pyroxsulam | 扬州大学 | 2018-12-14 | — | — | CN | disclosed |
| CN-108812680-A | A kind of Herbicidal combinations of Han You metamifop and trichlopyr | 江西正邦作物保护有限公司 | 2018-11-16 | — | — | CN | disclosed |
| CN-108782563-A | A kind of Herbicidal combinations and its application containing trichlopyr and pyribenzoxim | 扬州大学 | 2018-11-13 | — | — | CN | disclosed |
| CN-108703144-A | A kind of ternary weeding composition containing ring pyrrole fluorine humulone and its application | 青岛清原化合物有限公司 | 2018-10-26 | — | — | CN | disclosed |
| CN-108684695-A | A kind of Herbicidal combinations and its application containing trichlopyr and isoproturon | 扬州大学 | 2018-10-23 | — | — | CN | disclosed |
| CN-104661522-B | Herbicidal compositions comprising 4-amino-3-chloro-5-fluoro-6- (4-chloro-2-fluoro-3-methoxyphenyl) pyridine-2-carboxylic acid | 美国陶氏益农公司 | 2018-09-25 | — | — | CN | disclosed |
| CN-108290832-A | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 美国陶氏益农公司 | 2018-07-17 | — | — | CN | disclosed |
| CN-108157374-A | Ternary weeding composition and application thereof | 青岛清原化合物有限公司 | 2018-06-15 | — | — | CN | disclosed |
| CN-106577711-A | Weeding composition | 江苏龙灯化学有限公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-106561703-A | Herbicidal composition containing pinoxaden and applications thereof | 江苏丰山集团股份有限公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-104244719-B | Comprise aqueous herbicidal concentrate and the using method of fatty acid alkyl esters, fatty acid amide or fatty acid triglyceride | 陶氏益农公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-104334552-B | Fused heterocyclic compound | 住友化学株式会社 | 2016-08-31 | — | — | CN | disclosed |