Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1610013 | 0.83 | TSHR (0.48) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL5008921 | 0.81 | TSHR (0.41) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL27836565 | 0.80 | TSHR (0.50) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL1610122 | 0.80 | TRPA1 (0.41) | TSHRALDH1A1ACHEKDM4ECYP1A2 | |
| SCHEMBL5010170 | 0.80 | TSHR (0.40) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL1611320 | 0.80 | TSHR (0.45) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL2313488 | 0.78 | ALDH1A1 (0.48) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL29373824 | 0.78 | ALDH1A1 (0.48) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL1276606 | 0.78 | ALDH1A1 (0.48) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL1610236 | 0.78 | ALDH1A1 (0.43) | TSHRALDH1A1ACHERAB9AKDM4E |
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 183 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8309735-B2 | Heterocyclic compounds for the inhibition of integrins and use thereof | SHIRE ORPHAN THERAPIES GMBH (DE) | 2012-11-13 | — | — | US | claimed |
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | claimed |
| EP-1979342-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jerini AG (DE) | 2008-10-15 | — | — | EP | claimed |
| WO-2007131764-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-11-22 | — | — | WO | claimed |
| WO-2007088041-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-08-09 | — | — | WO | claimed |
| EP-1453792-B1 | AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE | ELAN PHARM INC (US) | 2007-04-18 | — | — | EP | claimed |
| EP-1453792-A1 | AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | claimed |
| US-20040039064-A1 | Amine 1,2- and 1,3-diol compounds | PHARMACIA & UPJOHN COMPANY LLC | 2004-02-26 | — | — | US | claimed |
| US-20040034031-A1 | 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines | ELAN PHARMACEUTICALS, INC. | 2004-02-19 | — | — | US | claimed |
| WO-2003043975-A1 | AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-30 | — | — | WO | claimed |
| WO-2003043987-A2 | (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-30 | — | — | WO | claimed |
| US-5652249-A | ADMINISTERING PYROGLUTAMIDE DERIVATIVE | NIPPON SHINYAKU CO., INC. (JP) | 1997-07-29 | — | — | US | claimed |
| EP-0763015-A1 | SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS | ARQULE, INC. (US) | 1997-03-19 | — | — | EP | claimed |
| EP-0543919-B1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES | SEARLE & CO (US) | 1996-04-10 | — | — | EP | claimed |
| EP-0543919-A1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. | SEARLE & CO (US) | 1993-06-02 | — | — | EP | claimed |
| WO-1992003131-A1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES | G.D. SEARLE & CO. (US) | 1992-03-05 | — | — | WO | claimed |
| EP-0125093-A1 | Diaz(ep)ine bis(N-amidinoamidine) derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-11-14 | — | — | EP | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 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-20040039064-A1 | Amine 1,2- and 1,3-diol compounds | BACE1, BACE2, APP | TSHR 2224/4885ALDH1A1 620/4885ACHE 20/4885 |
| US-20040034031-A1 | 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines | BACE1, APP, BACE2 | TSHR 2220/4885ALDH1A1 1490/4885ACHE 11/4885 |
“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.