Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 11/20 | 0.43 |
| ▸ | BCHE | P06276 | 6/20 | 0.43 |
| ▸ | ACHE | P22303 | 6/20 | 0.43 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL3350267 | 0.78 | SCN8A (0.50) | PPARG | |
| SCHEMBL3352542 | 0.77 | CHRM2 (0.58) | CHRM2TP53TSHRKMT2A | |
| SCHEMBL3351531 | 0.76 | MAPK14 (0.50) | CHRM2BCHEKMT2A | |
| SCHEMBL10231709 | 0.76 | CHRM2 (0.47) | HDAC3HDAC1HDAC2HDAC6CHRM2 | |
| SCHEMBL9903529 | 0.76 | CHRM2 (0.52) | HDAC3HDAC1HDAC2HDAC6CHRM2 | |
| SCHEMBL16269347 | 0.75 | CHRM2 (0.48) | CHRM2BCHEACHEGRIN1GRIN2A | |
| SCHEMBL25590514 | 0.74 | CHRM2 (0.57) | CHRM2BCHEACHEGRIN1GRIN2A | |
| Toluene SCHEMBL3909886 | 0.73 | CHRM2 (0.54) | CHRM2TP53TSHRKMT2A | |
| SCHEMBL9882920 | 0.73 | SIGMAR1 (0.50) | HDAC3HDAC1HDAC2HDAC6CHRM2 | |
| SCHEMBL9903526 | 0.72 | HDAC3 (0.50) | HDAC3HDAC1HDAC2HDAC6PPARG |
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-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | ELAN PHARMACEUTICALS, INC. | 2007-09-13 | — | — | 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-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | BACE1, BACE2, APP | HDAC3 527/4885HDAC1 426/4885HDAC2 833/4885 |
“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.