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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2126948 | 0.86 | CHRNA7 (0.52) | NPC1RAB9ACHRNA7HTR3ACHRNB4 | |
| SCHEMBL2126524 | 0.81 | ACHE (0.42) | NPC1RAB9ATP53KDM4EALDH1A1 | |
| SCHEMBL1794434 | 0.81 | CHRNA7 (0.50) | NPC1RAB9ACHRNA7HTR3ACHRNB4 | |
| SCHEMBL1792522 | 0.79 | CHRNA7 (0.47) | NPC1RAB9ACHRNA7HTR3ACHRNB4 | |
| SCHEMBL1791732 | 0.79 | CHRNA7 (0.49) | NPC1RAB9ACHRNA7HTR3ACHRNB4 | |
| SCHEMBL1793416 | 0.79 | CHRNA7 (0.47) | NPC1RAB9ACHRNA7HTR3ACHRNB4 | |
| SCHEMBL1791813 | 0.77 | CHRNA7 (0.47) | NPC1RAB9ACHRNA7HTR3ACHRNB4 | |
| SCHEMBL1795776 | 0.76 | CHRNA7 (0.56) | NPC1RAB9ACHRNA7HTR3ACHRNB4 | |
| SCHEMBL1796875 | 0.75 | CHRNA7 (0.54) | NPC1RAB9ACHRNA7HTR3ACHRNB4 | |
| SCHEMBL1791919 | 0.75 | CHRNA7 (0.54) | NPC1RAB9ACHRNA7HTR3ACHRNB4 |
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-8846661-B2 | Diazahomoadamantane derivatives and methods of use thereof | ABBVIE INC. (US) | 2014-09-30 | — | — | US | disclosed |
| US-20100324027-A1 | DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF | ABBOTT LABORATORIES (US) | 2010-12-23 | — | — | 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-20100324027-A1 | DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF | DDT, NISCH, OGA | NPC1 1241/4885RAB9A 2093/4885CHRNA7 810/4885 |
“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.