Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15413872 | 1.00 | CYP2D6 (0.42) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| SCHEMBL16372424 | 1.00 | CYP2D6 (0.42) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| Hydrochloric Acid SCHEMBL6674382 | 0.98 | CYP2D6 (0.41) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| Hydrochloric Acid SCHEMBL6647749 | 0.98 | CYP2D6 (0.41) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| SCHEMBL1808923 | 0.83 | LMNA (0.32) | CYP2D6CYP2C19SCN9A | |
| SCHEMBL9134952 | 0.79 | SCN9A (0.33) | SCN9AHSD17B10 | |
| SCHEMBL21322183 | 0.78 | CA14 (0.46) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| SCHEMBL1604615 | 0.78 | CA14 (0.46) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| SCHEMBL1604610 | 0.78 | CA14 (0.46) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| SCHEMBL3195946 | 0.77 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2563125-A1 | AZAINDOLES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011137022-A1 | AZAINDOLES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-11-03 | — | — | WO | disclosed |
| 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 |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-6962934-B2 | Substituted amino carboxamides for the treatment of Alzheimer's disease | ELAN PHARMACEUTICALS, INC. (US) | 2005-11-08 | — | — | US | disclosed |
| EP-1458745-A2 | SUBSTITUTED AMINO CARBOXAMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2004-09-22 | — | — | EP | disclosed |
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | disclosed |
| US-20030166580-A1 | Substituted amino carboxamides for the treatment of alzheimer's disease | ELAN PHARMACEUTICALS, INC. | 2003-09-04 | — | — | US | disclosed |
| WO-2003057721-A2 | SUBSTITUTED AMINO CARBOXAMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2003-07-17 | — | — | WO | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | 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-20030166580-A1 | Substituted amino carboxamides for the treatment of alzheimer's disease | BACE1, BACE2, APP | CYP2D6 2321/4885CYP2C19 1189/4885PKM 2646/4885 |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | BACE1, BACE2, PSEN1 | CYP2D6 2162/4885CYP2C19 3144/4885PKM 4496/4885 |
| 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 4077/4885PKM 3659/4885 |
“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.