Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1990045 | 0.88 | PARP1 (0.44) | PARP1POLBHTTESR2TP53 | |
| SCHEMBL1004217 | 0.83 | MEN1 (0.49) | PARP1POLBHTTESR2TP53 | |
| SCHEMBL17786095 | 0.83 | HDAC3 (0.37) | PARP1POLBHTTESR2TP53 | |
| SCHEMBL812386 | 0.82 | KMT2A (0.49) | PARP1POLBHTTESR2TP53 | |
| SCHEMBL31074260 | 0.82 | CXCR5 (0.51) | PARP1POLBHTTESR2TP53 | |
| SCHEMBL4141784 | 0.82 | CXCR5 (0.51) | PARP1POLBHTTESR2TP53 | |
| SCHEMBL17786120 | 0.81 | CRBN (0.34) | PARP1KDM4EMAPTALDH1A1 | |
| SCHEMBL4359667 | 0.80 | CXCR5 (0.52) | PARP1POLBHTTESR2TP53 | |
| SCHEMBL2976919 | 0.80 | KDM4E (0.45) | PARP1KDM4EMAPTALDH1A1PARP2 | |
| SCHEMBL813186 | 0.80 | MEN1 (0.46) | PARP1POLBHTTESR2TP53 |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104744461-A | Lactam-containing compounds and derivatives thereof as factor Xa inhibitors | BRISTOL MYERS SQUIBB CO | 2015-07-01 | — | — | CN | claimed |
| CN-102471339-A | Pyrrolopyridine inhibitors of kinases | ABBOTT LAB | 2012-05-23 | — | — | CN | claimed |
| CN-104744461-A | Lactam-containing compounds and derivatives thereof as factor Xa inhibitors | BRISTOL MYERS SQUIBB CO | 2015-07-01 | — | — | CN | disclosed |
| CN-102471339-A | Pyrrolopyridine inhibitors of kinases | ABBOTT LAB | 2012-05-23 | — | — | CN | disclosed |
| CN-101475528-A | Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof | TAISHO PHARMACEUTICAL CO LTD (JP) | 2009-07-08 | — | — | CN | disclosed |
| CN-100451004-C | Pyrimidine derivatives | ARENA PHARM INC (JP) | 2009-01-14 | — | — | CN | disclosed |
| CN-1798736-A | Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use | ARENA PHARM INC (JP) | 2006-07-05 | — | — | CN | disclosed |
| US-6656930-B2 | Treatment of central nervous system (CNS) dysfunctions, neurodegenerative diseases and neurotoxic injury following hypoxia, anoxia or ischemia of stroke, cardiac arrest or perinatal asphyxia; antipsychotic and -convulsant agents | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2003-12-02 | — | — | US | disclosed |
| US-20020045624-A1 | Aralkyl diaxabicycloalkane derivatives for CNS disorders | BOWEN WAYNE D (US) | 2002-04-18 | — | — | US | disclosed |
| US-6310064-B1 | ADMINISTERING TO TREAT CEREBRAL ISCHEMIA OR A PSYCHOTIC DISORDER | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE OF DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2001-10-30 | — | — | US | disclosed |
| US-5958920-A | ANTICONVULSANTS, ANTIISCHEMIC AGENTS, BRAIN DISORDERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-09-28 | — | — | US | disclosed |
| US-5571832-A | Nitrogen-containing cyclohetero alkylamino aryl derivatives for CNS disorders | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-11-05 | — | — | US | disclosed |
| US-5346908-A | Anticonvulsant | NATIONAL INSTITUTES OF HEALTH (US) | 1994-09-13 | — | — | US | disclosed |
| EP-0594597-A1 | NITROGEN-CONTAINING CYCLOHETERO CYCLOALKYLAMINOARYL DERIVATIVES FOR CNS DISORDERS | G.D. Searle & Co. (US) | 1994-05-04 | — | — | EP | disclosed |
| WO-1994006794-A1 | ARALKYL DIAZABICYCLOALKANE DERIVATIVES FOR CNS DISORDERS | NATIONAL INSTITUTES OF HEALTH (US) | 1994-03-31 | — | — | WO | disclosed |
| EP-0594597-A4 | NITROGEN-CONTAINING CYCLOHETERO CYCLOALKYLAMINOARYL DERIVATIVES FOR CNS DISORDERS. | SEARLE & CO (US) | 1993-04-30 | — | — | EP | disclosed |
| WO-1992022279-A2 | N-[ARYLETHYL]-N-ALKYL-2-(1-PYRROLIDINYL)ETHYLAMINE DERIVATIVES FOR CNS DISORDERS | G.D. SEARLE & CO. (US) | 1992-12-23 | — | — | WO | disclosed |
| EP-0518216-A2 | N-/Arylethyl/-N-alkyl-2-(1-pyrrolidinyl)ethylamine derivatives for CNS disorders | G.D. Searle & Co. (US) | 1992-12-16 | — | — | EP | disclosed |
| US-5130330-A | Central nervous system disorders, antiischemic agents, psychotic disorders and anticonvulsants | G. D. SEARLE & CO. (US) | 1992-07-14 | — | — | US | disclosed |
| WO-1991012247-A1 | NITROGEN-CONTAINING CYCLOHETERO CYCLOALKYLAMINOARYL DERIVATIVES FOR CNS DISORDERS | G.D. SEARLE & CO. (US) | 1991-08-22 | — | — | 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 (1 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-20020045624-A1 | Aralkyl diaxabicycloalkane derivatives for CNS disorders | HYPK, AHNAK, DGKZ | PARP1 2153/4885POLB 3340/4885HTT 138/4885 |
“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.