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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | P4HB | P07237 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL11135844 | 0.80 | TAAR1 (0.50) | CYP2D6LMNACYP1A2CYP2C19P4HB | |
| Bromide SCHEMBL6322805 | 0.79 | TAAR1 (0.48) | CYP2D6LMNACYP1A2CYP2C19P4HB | |
| SCHEMBL6228013 | 0.77 | TAAR1 (0.51) | CYP2D6CYP3A4MAPK1LMNATHPO | |
| SCHEMBL1825676 | 0.73 | LMNA (0.46) | CYP3A4MAPK1LMNAALDH1A1KMT2A | |
| Bretylium SCHEMBL11353818 | 0.73 | CYP2D6 (0.79) | CYP2D6CYP3A4MAPK1LMNATHPO | |
| SCHEMBL38660852 | 0.70 | CYP2D6 (0.48) | CYP2D6CYP3A4MAPK1LMNATHPO | |
| Trimethylammonium SCHEMBL3326977 | 0.70 | GAA (0.54) | CYP2D6MAPK1LMNAALDH1A1KMT2A | |
| SCHEMBL5597376 | 0.68 | CA2 (0.55) | CYP2D6LMNAALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL20746449 | 0.68 | CYP1A2 (0.44) | CYP2D6CYP3A4MAPK1LMNAALDH1A1 | |
| SCHEMBL932442 | 0.68 | SMN1; SMN2 (0.73) | CYP2D6CYP3A4MAPK1LMNAALDH1A1 |
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 6 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 |
| EP-1140054-B1 | BRETYLIUM COMPOSITIONS AND KITS, AND THEIR USE IN PREVENTING AND TREATING CARDIOVASCULAR CONDITIONS | BACANER MARVIN B (US) | 2005-03-16 | — | — | EP | 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 |
| US-6482811-B1 | Bretylium compositions and kits, and their use in preventing and treating cardio-vascular conditions | BACANER MARVIN B (US) | 2002-11-19 | — | — | US | disclosed |
| EP-1140054-A2 | BRETYLIUM COMPOSITIONS AND KITS, AND THEIR USE IN PREVENTING AND TREATING CARDIOVASCULAR CONDITIONS | Bacaner, Marvin B. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040232-A2 | BRETYLIUM COMPOSITIONS AND KITS, AND THEIR USE IN PREVENTING AND TREATING CARDIOVASCULAR CONDITIONS | BACANER MARVIN B (US) | 2000-07-13 | — | — | WO | 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 | CYP2D6 3889/4885CYP3A4 2620/4885MAPK1 3234/4885 |
“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.