Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MMP1 | P03956 | 2/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | CPA1 | P15085 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1966631 | 0.80 | CYP2D6 (0.34) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL4667011 | 0.77 | ADH1B (0.33) | CYP2D6CYP2C19 | |
| SCHEMBL2433388 | 0.75 | MMP1 (0.33) | CYP2D6CYP2C19MAPTALDH1A1MMP1 | |
| SCHEMBL5439835 | 0.74 | CYP2D6 (0.47) | CYP2D6CYP2C19MAPTALDH1A1MMP1 | |
| SCHEMBL1962473 | 0.72 | ADH1B (0.30) | — | |
| SCHEMBL23795389 | 0.72 | PTGS1 (0.33) | ALDH1A1 | |
| SCHEMBL564048 | 0.70 | MAPT (0.46) | CYP2D6CYP2C19MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL21322181 | 0.70 | MAPT (0.46) | CYP2D6CYP2C19MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL3154720 | 0.68 | ALDH1A1 (0.55) | CYP2D6CYP2C19ALDH1A1MMEACE | |
| SCHEMBL28775547 | 0.68 | ALDH1A1 (0.55) | CYP2D6CYP2C19ALDH1A1MMEACE |
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 1374/4885MAPT 6/4885 |
| US-20060106256-A1 | Substituted hydroxyethylamines | HNMT, PNMT, BCHE | CYP2D6 308/4885CYP2C19 430/4885MAPT 43/4885 |
| 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 4077/4885MAPT 159/4885 |
“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.