Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.62 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | KDM6B | O15054 | 1/20 | 0.45 |
| ▸ | KDM4A | O75164 | 1/20 | 0.45 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.45 |
| ▸ | PTPRF | P10586 | 1/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL3905099 | 0.92 | MEN1 (0.55) | CHRM2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3356470 | 0.80 | CHRM2 (0.56) | CHRM2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL10045277 | 0.79 | CHRM2 (0.90) | CHRM2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL9297275 | 0.79 | HDAC3 (0.73) | CHRM2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3119525 | 0.78 | CHRM2 (0.70) | CHRM2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL11597593 | 0.77 | CHRM2 (0.79) | CHRM2HDAC3HDAC1HDAC2HDAC8 | |
| Toluene SCHEMBL3916489 | 0.77 | CHRM2 (0.51) | CHRM2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3351112 | 0.77 | KDM6B (0.46) | HDAC3HDAC1HDAC2HDAC8MEN1 | |
| SCHEMBL3357890 | 0.77 | CHRM2 (0.59) | CHRM2MEN1KMT2ASIGMAR1KDM6B | |
| Acetic Acid SCHEMBL9334204 | 0.76 | CHRM2 (0.63) | CHRM2HDAC3HDAC1HDAC2HDAC8 |
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 | CHRM2 876/4885HDAC3 527/4885HDAC1 426/4885 |
“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.