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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5530229 | 0.79 | MCHR1 (0.56) | CYP1A2CYP2C19ATMMCHR1CNR2 | |
| Bromide SCHEMBL6322808 | 0.78 | HTR2A (0.47) | ALDH1A1 | |
| SCHEMBL10903328 | 0.77 | GAA (0.52) | CYP1A2CYP2C19KMT2AATMGAA | |
| SCHEMBL10544587 | 0.76 | TAAR1 (0.58) | CYP1A2CYP2C19ATMMCHR1CNR2 | |
| L-Phenylalaninol SCHEMBL10520919 | 0.75 | CYP2D6 (0.50) | CYP1A2KMT2AATMGAACYP2D6 | |
| SCHEMBL11232871 | 0.75 | GAA (0.50) | CYP1A2CYP2C19KMT2AATMGAA | |
| Diphenylmethane SCHEMBL9099741 | 0.75 | SMN1; SMN2 (0.54) | CYP1A2KMT2AATMGAACYP2D6 | |
| SCHEMBL10719271 | 0.74 | MCHR1 (0.67) | CYP1A2ATMMCHR1CNR2CA9 | |
| SCHEMBL6361661 | 0.74 | CYP1A2 (0.52) | CYP1A2CYP2C19KMT2AATMGAA | |
| SCHEMBL6317104 | 0.74 | CYP1A2 (0.52) | CYP1A2CYP2C19KMT2AATMGAA |
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-6884792-B2 | Bretylium compositions and kits and their use in preventing and treating cardiovascular conditions | BACANER MARVIN B (US) | 2005-04-26 | — | — | US | disclosed |
| US-20030119794-A1 | Novel bretylium compositions and kits and their use in preventing and treating cardiovascular conditions | BACANER MARVIN B (US) | 2003-06-26 | — | — | 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-20030119794-A1 | Novel bretylium compositions and kits and their use in preventing and treating cardiovascular conditions | TNNT2, TNNI3, FABP3 | CYP1A2 2313/4885CYP2C19 3687/4885KMT2A 4464/4885 |
“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.