Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 2-Chlorophenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | FEN1 | P39748 | 2/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| 2-Chlorophenol SCHEMBL27431537 | 0.96 | ALDH1A1 (0.45) | ALDH1A1TSHRLMNACES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL8528441 | 0.86 | TSHR (0.59) | ALDH1A1TSHRLMNACES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL27754908 | 0.86 | TSHR (0.59) | ALDH1A1TSHRLMNACES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL27435182 | 0.84 | TSHR (0.56) | ALDH1A1TSHRLMNACES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL29087567 | 0.84 | TSHR (0.56) | ALDH1A1TSHRLMNACES2CES1 | |
| 2-Chlorophenol SCHEMBL3225047 | 0.83 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL29087570 | 0.81 | TSHR (0.53) | ALDH1A1TSHRLMNACES2CES1 | |
| 2-Chlorophenol SCHEMBL11881746 | 0.81 | TSHR (0.59) | ALDH1A1TSHRLMNACES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL28208295 | 0.79 | TSHR (0.55) | ALDH1A1TSHRLMNACES2CES1 | |
| 2-Chlorophenol SCHEMBL31616214 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7666566-B2 | Electrophotographic toner and method of preparing the toner | RICOH COMPANY, LTD. (JP) | 2010-02-23 | — | — | US | disclosed |
| US-20050196691-A1 | Electrophotographic toner and method of preparing the toner | RICOH COMPANY, LTD. (JP) | 2005-09-08 | — | — | US | disclosed |