Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.55 |
| ▸ | HSD17B3 | P37058 | 7/20 | 0.49 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | STS | P08842 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7878110 | 0.89 | TPMT (0.59) | TPMTHSD17B3HCAR1PLA2G2A | |
| Hexane SCHEMBL27639643 | 0.87 | TPMT (0.67) | TPMTHCAR1PLA2G2A | |
| SCHEMBL5567306 | 0.83 | HSD17B3 (0.56) | HSD17B3HTR7PLA2G2ACA2 | |
| Hexanoate SCHEMBL28751311 | 0.82 | AKR1B1 (0.57) | TPMTHCAR1PLA2G2A | |
| SCHEMBL5570402 | 0.81 | HSD17B3 (0.58) | HSD17B3PLA2G2ACA2 | |
| SCHEMBL3349460 | 0.81 | KDM4E (0.46) | HSD17B3HTR7CA2STS | |
| SCHEMBL27740457 | 0.79 | TPMT (0.55) | TPMTHCAR1PLA2G2A | |
| 1-Hexanol SCHEMBL27508996 | 0.79 | TPMT (0.55) | TPMTHCAR1PLA2G2A | |
| SCHEMBL27547875 | 0.79 | HSD17B3 (0.53) | HSD17B3HTR7CES2CES1 | |
| Hexane SCHEMBL29263834 | 0.78 | PLA2G2A (0.62) | TPMTPLA2G2A |
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 13 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 |
| CN-100366605-C | Compounds to treat alzheimer's disease | ELAN PHARM INC (US) | 2008-02-06 | — | — | CN | disclosed |
| CN-101090883-A | Substituted hydroxyethylamines | ELAN PHARM INC (US) | 2007-12-19 | — | — | CN | 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-7214715-B2 | Compounds to treat Alzheimer's disease | PHARMACIA & UPJOHN (US) | 2007-05-08 | — | — | 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 |
| CN-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARM INC (US) | 2006-04-12 | — | — | CN | disclosed |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | disclosed |
| CN-1447789-A | Compounds for treating alzheimer's disease | ELAN PHARM INC (US) | 2003-10-08 | — | — | CN | disclosed |
| US-20020128255-A1 | Compounds to treat alzheimer's disease | PHARMACIA & UPJOHN COMPANY | 2002-09-12 | — | — | 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 (5 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-20020128255-A1 | Compounds to treat alzheimer's disease | PSEN2, PSEN1, APP | TPMT 874/4885HSD17B3 607/4885HCAR1 500/4885 |
| US-20070213407-A1 | Compounds to treat Alzheimer's disease | PSEN2, PSEN1, CHAT | TPMT 779/4885HSD17B3 658/4885HCAR1 395/4885 |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | BACE1, BACE2, PSEN1 | TPMT 1920/4885HSD17B3 171/4885HCAR1 288/4885 |
| US-20060106256-A1 | Substituted hydroxyethylamines | HNMT, PNMT, BCHE | TPMT 82/4885HSD17B3 1028/4885HCAR1 66/4885 |
| 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 | TPMT 3652/4885HSD17B3 616/4885HCAR1 1332/4885 |
“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.