Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Chlorobenzene. 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 | |
|---|---|---|---|---|
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.47 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.47 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL9682474 | 0.92 | TSHR (0.65) | TSHRKEAP1SMN1; SMN2PTGS2CES2 | |
| Chlorobenzene SCHEMBL27624746 | 0.89 | TSHR (0.61) | TSHRKEAP1SMN1; SMN2PTGS2CES2 | |
| Chlorobenzene SCHEMBL7223075 | 0.88 | TSHR (0.69) | TSHRSMN1; SMN2FLT1FLT4KDR | |
| Chlorobenzene SCHEMBL6669403 | 0.86 | TSHR (0.65) | TSHRSMN1; SMN2FLT1FLT4KDR | |
| Chlorobenzene SCHEMBL27670034 | 0.84 | TSHR (0.55) | TSHRSMN1; SMN2FLT1FLT4KDR | |
| Chlorobenzene SCHEMBL7454781 | 0.83 | TSHR (0.61) | TSHRSMN1; SMN2FLT1FLT4KDR | |
| 1,2-Dichlorobenzene SCHEMBL28623362 | 0.83 | TSHR (0.56) | TSHRKEAP1SMN1; SMN2FLT1FLT4 | |
| Chlorobenzene SCHEMBL231594 | 0.82 | TSHR (0.69) | TSHRSMN1; SMN2FLT1FLT4KDR | |
| Chlorobenzene SCHEMBL11092864 | 0.82 | TSHR (0.52) | TSHRSMN1; SMN2FLT1FLT4KDR | |
| Chlorobenzene SCHEMBL3311870 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1277850-C | Catalyst component, catalyst and process for ethylenically unsaturated monomer polymerization | MITSUI CHEMICALS INC (JP) | 2006-10-04 | — | — | CN | disclosed |
| CN-1174004-C | Catalyst component for polymerization of ethylenically unsaturated monomers, catalyst, and method of use thereof | ������ѧ��ʽ���� | 2004-11-03 | — | — | CN | disclosed |
| CN-1151140-C | Glucokinase activators | - | 2004-05-26 | — | — | CN | disclosed |
| CN-1349519-A | Glucokinase activators | HOFFMANN LA ROCHE (CH) | 2002-05-15 | — | — | CN | disclosed |