Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Trifluoromethylbenzene. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | KIF11 | P52732 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL28200707 | 0.86 | ALDH1A1 (0.64) | ALDH1A1TSHRKIF11RAB9ANPC1 | |
| Trifluoromethylbenzene SCHEMBL6018790 | 0.86 | ALDH1A1 (0.64) | ALDH1A1TSHRKIF11RAB9ANPC1 | |
| Trifluoromethylbenzene SCHEMBL28898183 | 0.86 | TSHR (0.64) | ALDH1A1TSHRKIF11RAB9ANPC1 | |
| Trifluoromethylbenzene SCHEMBL4616496 | 0.83 | ALDH1A1 (0.74) | ALDH1A1TSHRKIF11RAB9ANPC1 | |
| Trifluoromethylbenzene SCHEMBL5311703 | 0.83 | ALDH1A1 (0.82) | ALDH1A1TSHRKIF11RAB9ANPC1 | |
| SCHEMBL4302572 | 0.83 | CA1 (0.58) | ALDH1A1TSHRKIF11RAB9ACA1 | |
| Trifluoromethylbenzene SCHEMBL28303314 | 0.81 | ALDH1A1 (0.70) | ALDH1A1TSHRKIF11RAB9ANPC1 | |
| Trifluoromethylbenzene SCHEMBL28325249 | 0.81 | ALDH1A1 (0.70) | ALDH1A1TSHRKIF11RAB9ANPC1 | |
| Trifluoromethylbenzene SCHEMBL65956 | 0.81 | ALDH1A1 (0.70) | ALDH1A1TSHRKIF11RAB9ANPC1 | |
| Trifluoromethylbenzene SCHEMBL27721404 | 0.81 | TSHR (0.70) | ALDH1A1TSHRKIF11CA1CA2 |
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-100491446-C | Aromatic polyimide and its preparation and use | CHINESE ACAD INST CHEMISTRY (CN) | 2009-05-27 | — | — | CN | disclosed |
| CN-100400529-C | Fluorine-containing aromatic organic tetracarboxylic dianhydride and preparation method and application thereof | CHINESE ACAD INST CHEMISTRY (CN) | 2008-07-09 | — | — | CN | disclosed |
| CN-1810856-A | Aromatic polyimide and its prepn and use | CHINESE ACAD INST CHEMISTRY (CN) | 2006-08-02 | — | — | CN | disclosed |
| CN-1605587-A | Fluorine-containing aromatic organic tetracarboxylic dianhydride and preparation method and application thereof | CHINESE ACAD INST CHEMISTRY (CN) | 2005-04-13 | — | — | CN | disclosed |