Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4631030 | 0.90 | FFAR1 (0.48) | PTGES2CYP2D6HRH4HRH3PIK3CA | |
| SCHEMBL4953884 | 0.85 | HRH3 (0.49) | PTGES2CYP2D6HRH4HRH3HAO1 | |
| SCHEMBL30092382 | 0.85 | MAP3K14 (0.45) | CYP3A4CASP1RECQLPIK3CAMTOR | |
| SCHEMBL471131 | 0.85 | MAP3K14 (0.45) | CYP3A4CASP1RECQLPIK3CAMTOR | |
| SCHEMBL471129 | 0.80 | FFAR1 (0.42) | PTGES2CYP3A4CASP1RECQLPIK3CA | |
| SCHEMBL4968126 | 0.80 | CYP3A4 (0.58) | CYP3A4CASP1RECQLPIK3CAMTOR | |
| SCHEMBL14177740 | 0.79 | MAPT (0.43) | CYP3A4CASP1RECQLPIK3CAMTOR | |
| SCHEMBL29433431 | 0.79 | CYP3A4 (0.50) | CYP3A4CASP1RECQLPIK3CAMTOR | |
| SCHEMBL1507506 | 0.79 | CYP3A4 (0.50) | CYP3A4CASP1RECQLPIK3CAMTOR | |
| SCHEMBL11442991 | 0.78 | FFAR1 (0.40) | PIK3CAMTORPDK1FFAR1HCRTR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | claimed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | claimed |
| EP-3015460-B1 | PROCESS FOR THE PREPARATION OF ERLOTINIB | CERBIOS-PHARMA S A (CH) | 2017-05-17 | — | — | EP | disclosed |
| US-8999956-B2 | N-[(het)arylalkyl)] pyrazole(thio)carboxamides and their heterosubstituted analogues | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-04-07 | — | — | US | disclosed |
| EP-2576517-B1 | N-[(HET)ARYLALKYL)]PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES | BAYER IP GMBH (DE) | 2014-12-17 | — | — | EP | disclosed |
| EP-2576517-A1 | N-[(HET)ARYLALKYL)]PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES | Bayer Cropscience AG (DE) | 2013-04-10 | — | — | EP | disclosed |
| US-20130079302-A1 | N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-03-28 | — | — | US | disclosed |
| WO-2011151370-A1 | N-[(HET)ARYLALKYL)] PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES | BAYER CROPSCIENCE AG (DE) | 2011-12-08 | — | — | WO | disclosed |
| US-20100286353-A1 | ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF | FUJIFILM CORPORATION (JP) | 2010-11-11 | — | — | US | disclosed |
| US-20100240908-A1 | ACETYLENE COMPOUND | FUJIFILM CORPORATION (JP) | 2010-09-23 | — | — | US | disclosed |
| EP-2202221-A1 | ACETYLENE COMPOUND | Fujifilm Corporation (JP) | 2010-06-30 | — | — | EP | disclosed |
| EP-2202220-A1 | ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF | Fujifilm Corporation (JP) | 2010-06-30 | — | — | EP | disclosed |
| US-20090325964-A1 | Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression | WYETH (US) | 2009-12-31 | — | — | US | disclosed |
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |
| US-7105707-B2 | Process for preparing alkynyl-substituted aromatic and heterocyclic compounds | PHARMACORE, INC. (US) | 2006-09-12 | — | — | US | disclosed |
| US-20050137402-A1 | Process for preparing alkynyl-substituted aromatic and heterocyclic compounds | DSM N.V. (NL) | 2005-06-23 | — | — | 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-20090325964-A1 | Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression | GRM5, GRIK5, GRM1 | PTGES2 2330/4885CYP2D6 3713/4885HRH4 362/4885 |
| US-20100240908-A1 | ACETYLENE COMPOUND | NAT1, KATNA1, KAT2B | PTGES2 3165/4885CYP2D6 2759/4885HRH4 816/4885 |
| US-20050137402-A1 | Process for preparing alkynyl-substituted aromatic and heterocyclic compounds | NAT1, B3GNT2, NISCH | PTGES2 4015/4885CYP2D6 2366/4885HRH4 86/4885 |
| US-20100286353-A1 | ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF | KAT8, HDAC10, SSRP1 | PTGES2 3902/4885CYP2D6 4468/4885HRH4 399/4885 |
| US-20130079302-A1 | N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES | HDHD5, CYP51A1, NOD1 | PTGES2 554/4885CYP2D6 90/4885HRH4 47/4885 |
“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.