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 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL8855213 | 0.82 | CYP2D6 (0.49) | CYP2D6LMNAMAPTUSP2GAA | |
| SCHEMBL2947032 | 0.78 | CA12 (0.47) | CYP2D6LMNAALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL7202460 | 0.77 | CYP2D6 (0.48) | CYP2D6LMNAMAPTGAAL3MBTL1 | |
| SCHEMBL7687975 | 0.77 | CYP2D6 (0.48) | CYP2D6LMNAMAPTGAAL3MBTL1 | |
| Dioxane SCHEMBL5177507 | 0.76 | L3MBTL1 (0.49) | CYP2D6LMNAMAPTUSP2GAA | |
| Dioxane SCHEMBL11309706 | 0.76 | L3MBTL1 (0.49) | CYP2D6LMNAMAPTUSP2GAA | |
| SCHEMBL2907497 | 0.75 | CYP2D6 (0.56) | CYP2D6LMNAMAPTUSP2GAA | |
| Pimagedine SCHEMBL1551679 | 0.75 | CYP2D6 (0.55) | CYP2D6LMNAMAPTGAAL3MBTL1 | |
| Oxirane SCHEMBL10380952 | 0.74 | ALDH1A1 (0.50) | CYP2D6LMNAMAPTUSP2GAA | |
| SCHEMBL9723332 | 0.73 | ALDH1A1 (0.47) | CYP2D6LMNAMAPTL3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5612332-A | INHIBITING PROTEIN GLYCOSYLATION | ALTEON INC. (US) | 1997-03-18 | — | — | US | claimed |
| WO-1996040663-A1 | DI- AND TRI-AMINOGUANIDINES AND THEIR USE TO INHIBIT THE ADVANCED GLYCOSYLATION OF PROTEINS | ALTEON INC. (US) | 1996-12-19 | — | — | WO | claimed |
| US-5612332-A | INHIBITING PROTEIN GLYCOSYLATION | ALTEON INC. (US) | 1997-03-18 | — | — | US | disclosed |
| WO-1996040663-A1 | DI- AND TRI-AMINOGUANIDINES AND THEIR USE TO INHIBIT THE ADVANCED GLYCOSYLATION OF PROTEINS | ALTEON INC. (US) | 1996-12-19 | — | — | WO | disclosed |