Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.54 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.52 |
| ▸ | IKBKB | O14920 | 1/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.49 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31127659 | 1.00 | PARP1 (0.54) | PARP1BCAT2HSP90AA1IKBKBMAP4K4 | |
| SCHEMBL17799551 | 0.86 | MGAM (0.57) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 | |
| SCHEMBL31127610 | 0.86 | MGAM (0.57) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 | |
| SCHEMBL27771531 | 0.82 | AR (0.57) | PARP1BCAT2HSP90AA1IKBKBMAP4K4 | |
| SCHEMBL4936429 | 0.81 | PARP1 (0.50) | PARP1HSP90AA1IKBKBMAP4K4CSNK1G2 | |
| SCHEMBL31032045 | 0.81 | PARP1 (0.50) | PARP1HSP90AA1IKBKBMAP4K4CSNK1G2 | |
| SCHEMBL30108283 | 0.81 | PARP1 (0.50) | PARP1HSP90AA1IKBKBMAP4K4CSNK1G2 | |
| SCHEMBL7951895 | 0.81 | PARP1 (0.53) | PARP1BCAT2MAP4K4MKNK2NPC1 | |
| SCHEMBL935555 | 0.81 | CYP2A6 (0.49) | HSP90AA1IKBKBMAP4K4CSNK1G2CLK4 | |
| SCHEMBL18616636 | 0.81 | IKBKB (0.60) | PARP1HSP90AA1IKBKBMAP4K4CSNK1G2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011011514-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2011-01-27 | — | — | WO | claimed |
| CN-1081671-A | Use known medicine treatment diabetes | KABI PHARMACIA AB (SE) | 1994-02-09 | — | — | CN | claimed |
| CN-109890793-A | Novel anthelmintic quinoline-3-carboxamide derivatives | 拜耳动物保健有限责任公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-104837830-B | Pyrazines derivatives as CB2 receptor stimulating agents | 霍夫曼-拉罗奇有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-104327046-B | Triazole N ethyl tetrahydroisoquinolicompounds compounds and its preparation method and application | 中国药科大学 | 2017-11-17 | — | — | CN | disclosed |
| CN-104327046-A | Triazole-N-ethyl tetrahydroisoquinoline compounds and preparing process and application thereof | UNIV CHINA PHARMA | 2015-02-04 | — | — | CN | disclosed |
| US-8394828-B2 | Quinoline-derived amide modulators of vanilloid VR1 receptor | JANSSEN PHARMACEUTICA, NV (BE) | 2013-03-12 | — | — | US | disclosed |
| US-8362249-B2 | CXCR3 receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-29 | — | — | US | disclosed |
| CN-101346371-B | 4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer | ASTRAZENECA AB | 2012-11-14 | — | — | CN | disclosed |
| WO-2011011514-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2011-01-27 | — | — | WO | disclosed |
| US-20100273781-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-28 | — | — | US | disclosed |
| CN-101346371-A | 4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer | ASTRAZENECA AB (SE) | 2009-01-14 | — | — | CN | disclosed |
| US-20080300236-A1 | QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR | CODD ELLEN | 2008-12-04 | — | — | US | disclosed |
| EP-1603883-A2 | QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004069792-A2 | QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (US) | 2004-08-19 | — | — | WO | disclosed |
| CN-1081671-A | Use known medicine treatment diabetes | KABI PHARMACIA AB (SE) | 1994-02-09 | — | — | CN | disclosed |
| CN-1081671-A | Use known medicine treatment diabetes | KABI PHARMACIA AB (SE) | 1994-02-09 | — | — | CN | 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 (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-20100273781-A1 | CXCR3 RECEPTOR ANTAGONISTS | CXCR3, CXCR1, CXCR2 | PARP1 874/4885BCAT2 2499/4885HSP90AA1 3734/4885 |
| US-20080300236-A1 | QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR | TRPV1, OPRL1, TRPV2 | PARP1 1869/4885BCAT2 2039/4885HSP90AA1 2773/4885 |
“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.