Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25359136 | 0.87 | CYP2C19 (0.62) | CYP2D6CYP2C19EPHX1MMP1MMP8 | |
| SCHEMBL1966628 | 0.82 | CYP2D6 (0.45) | CYP2D6CYP2C19EPHX1CA2PAOX | |
| SCHEMBL3483791 | 0.79 | CA3 (0.50) | CYP2D6CYP2C19CA2PAOXCA12 | |
| SCHEMBL2478778 | 0.79 | HRH4 (0.42) | CYP2D6CYP2C19EPHX1SCN1ASCN2A | |
| SCHEMBL12344938 | 0.78 | KDM4E (0.64) | CYP2D6CYP2C19EPHX1MMP8PAOX | |
| SCHEMBL18338812 | 0.77 | CA3 (0.54) | CYP2C19EPHX1CA2PAOXCA12 | |
| SCHEMBL4751813 | 0.77 | CYP2D6 (0.43) | CYP2D6CYP2C19CACNA1GALDH1A1 | |
| SCHEMBL10045260 | 0.77 | CYP2C19 (0.45) | CYP2D6CYP2C19EPHX1SCN1ASCN2A | |
| SCHEMBL8958360 | 0.76 | KDM4E (0.43) | CYP2D6CYP2C19EPHX1CA2CA12 | |
| SCHEMBL5439831 | 0.76 | CYP2D6 (0.53) | CYP2D6CYP2C19EPHX1MMP1MMP8 |
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 6 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-7498436-B2 | Substituted hydroxyethylamines | PHARMACIA & UPJOHN COMPANY LLC (US) | 2009-03-03 | — | — | 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 |
| US-20070213407-A1 | Compounds to treat Alzheimer's disease | ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC | 2007-09-13 | — | — | US | disclosed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-20060106256-A1 | Substituted hydroxyethylamines | PHARMACIA & UPJOHN COMPANY | 2006-05-18 | — | — | 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 (3 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-20070213407-A1 | Compounds to treat Alzheimer's disease | PSEN2, PSEN1, CHAT | CYP2D6 1759/4885CYP2C19 1374/4885EPHX1 239/4885 |
| US-20060106256-A1 | Substituted hydroxyethylamines | HNMT, PNMT, BCHE | CYP2D6 308/4885CYP2C19 430/4885EPHX1 95/4885 |
| 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 | CYP2D6 4009/4885CYP2C19 4077/4885EPHX1 1903/4885 |
“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.