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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5917169 | 1.00 | LMNA (0.49) | LMNAMAPTSLC15A1CA1CA2 | |
| SCHEMBL1287363 | 1.00 | LMNA (0.49) | LMNAMAPTSLC15A1CA1CA2 | |
| SCHEMBL6447396 | 0.89 | LMNA (0.52) | LMNAMAPTSLC15A1CA1CA2 | |
| SCHEMBL3071 | 0.89 | LMNA (0.52) | LMNAMAPTSLC15A1CA1CA2 | |
| SCHEMBL719256 | 0.89 | LMNA (0.52) | LMNAMAPTSLC15A1CA1CA2 | |
| SCHEMBL7759042 | 0.88 | LMNA (0.49) | LMNAMAPTCA1CA2CYP2D6 | |
| SCHEMBL7758366 | 0.88 | LMNA (0.51) | LMNAMAPTSLC15A1CA1CA2 | |
| SCHEMBL4511022 | 0.87 | LMNA (0.52) | LMNAMAPTCA1CA2CYP2D6 | |
| SCHEMBL1670578 | 0.87 | LMNA (0.54) | LMNAMAPTCA1CA2CYP2D6 | |
| SCHEMBL719791 | 0.87 | LMNA (0.54) | LMNAMAPTCA1CA2CYP2D6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115477656-B | Dioxahexacyclic-tetrahydrocarboline-3-formylamino acid targeting P-selectin, preparation and application | 首都医科大学 | 2024-04-19 | — | — | CN | disclosed |
| CN-115477656-A | Dioxane-tetrahydro carboline-3-formylamino acid with P-selectin as target and preparation and application thereof | 首都医科大学 | 2022-12-16 | — | — | CN | disclosed |
| CN-105985405-B | 3-amino-2-hydroxy-4-phenyl-valyl-isoleucine derivative and application thereof | 上海来益生物药物研究开发中心有限责任公司 | 2020-08-04 | — | — | CN | disclosed |
| WO-2012048013-A2 | PHOSPHORODIAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INJECTIONS | INHIBITEX, INC. (US) | 2012-04-12 | — | — | WO | disclosed |
| EP-0610743-B1 | Aminomethylene-peptides as immunosuppressants | BAYER AG (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0838471-A1 | PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1998-04-29 | — | — | EP | disclosed |
| US-5385918-A | Aminomethylene-peptides as immunosuppressants | MILES INC. (US) | 1995-01-31 | — | — | US | disclosed |
| EP-0610743-A1 | Novel aminomethylene-peptides as immunosuppressants | Bayer Corporation (US) | 1994-08-17 | — | — | EP | disclosed |