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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MMP13 | P45452 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
| ▸ | LAP3 | P28838 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6897546 | 1.00 | MMP1 (0.46) | MMP1MAPTMMP13MMP9LMNA | |
| SCHEMBL2590490 | 0.92 | LMNA (0.52) | MAPTLMNALTA4HLAP3ALDH1A1 | |
| SCHEMBL718199 | 0.92 | LMNA (0.52) | MAPTLMNALTA4HLAP3ALDH1A1 | |
| SCHEMBL5221398 | 0.92 | LMNA (0.52) | MAPTLMNALTA4HLAP3ALDH1A1 | |
| SCHEMBL7302285 | 0.92 | LTA4H (0.56) | MAPTLMNALTA4HLAP3P2RX7 | |
| SCHEMBL12615481 | 0.90 | MAPT (0.48) | MAPTLMNALTA4HLAP3ALDH1A1 | |
| SCHEMBL716533 | 0.90 | MAPT (0.48) | MAPTLMNALTA4HLAP3ALDH1A1 | |
| SCHEMBL5115273 | 0.90 | MAPT (0.48) | MAPTLMNALTA4HLAP3ALDH1A1 | |
| SCHEMBL7709765 | 0.90 | MAPT (0.44) | MAPTLMNALTA4HLAP3P2RX7 | |
| SCHEMBL8813866 | 0.88 | P2RX7 (0.47) | MAPTLMNALTA4HLAP3P2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1078886-C | Inhibitors of beta-amyloid production | MURRILL MEDICINES CO (US) | 2002-02-06 | — | — | CN | disclosed |
| CN-1132504-A | Inhibitors of beta-amyloid production | MURRILL MEDICINES CO (US) | 1996-10-02 | — | — | CN | disclosed |