Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 7/20 | 0.38 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6473133 | 0.83 | CYP1A2 (0.37) | CYP1A2CYP2C9CA2CA1ALDH1A1 | |
| SCHEMBL6473684 | 0.83 | CYP1A2 (0.37) | CYP1A2CYP2C9CA2CA1ALDH1A1 | |
| SCHEMBL4445795 | 0.76 | CA2 (0.34) | CA2CA1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL6567273 | 0.75 | CYP2C9 (0.50) | CYP1A2CYP2C9CA2CA1ALDH1A1 | |
| SCHEMBL4073740 | 0.74 | CYP2C9 (0.49) | CYP1A2CYP2C9CA2CA1ALDH1A1 | |
| SCHEMBL5365715 | 0.74 | CA1 (0.39) | CYP2C9CA2CA1ALDH1A1KMT2A | |
| SCHEMBL5369470 | 0.74 | CA1 (0.39) | CYP2C9CA2CA1ALDH1A1KMT2A | |
| SCHEMBL8105421 | 0.73 | CYP1A2 (0.48) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA | |
| SCHEMBL10521274 | 0.73 | CYP1A2 (0.48) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA | |
| SCHEMBL7606203 | 0.73 | CYP1A2 (0.48) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2468778-B1 | FLUOROALKYL GROUP-CONTAINING N-SUBSTITUTED (METH)ACRYLAMIDE COMPOUND, POLYMER THEREOF, AND USE THEREOF | AGC SEIMI CHEMICAL CO LTD (JP) | 2016-10-12 | — | — | EP | disclosed |
| US-9000110-B2 | Fluoroalkyl group-containing n-substituted (meth)acrylamide compound, polymer thereof, and use thereof | AGC SEIMI CHEMICAL CO., LTD. (JP) | 2015-04-07 | — | — | US | disclosed |
| EP-2468778-A1 | FLUOROALKYL GROUP-CONTAINING N-SUBSTITUTED (METH)ACRYLAMIDE COMPOUND, POLYMER THEREOF, AND USE THEREOF | AGC Seimi Chemical Co., Ltd. (JP) | 2012-06-27 | — | — | EP | disclosed |
| US-20120149860-A1 | FLUOROALKYL GROUP-CONTAINING N-SUBSTITUTED (METH)ACRYLAMIDE COMPOUND, POLYMER THEREOF , AND USE THEREOF | AGC SEIMI CHEMICAL CO.,LTD. (JP) | 2012-06-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120149860-A1 | FLUOROALKYL GROUP-CONTAINING N-SUBSTITUTED (METH)ACRYLAMIDE COMPOUND, POLYMER THEREOF , AND USE THEREOF | AFF2, AFF1, FRG1 | CYP1A2 1010/4885CYP2C9 1768/4885CA2 1869/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.