Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA4 | P22748 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 5/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 5/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 5/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27166376 | 0.98 | TAAR1 (0.39) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25424465 | 0.94 | GNAI3 (0.39) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28233763 | 0.91 | TAAR1 (0.36) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL20768868 | 0.90 | CA1 (0.39) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1715039 | 0.90 | CA1 (0.39) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27745522 | 0.83 | TAAR1 (0.38) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1715152 | 0.83 | CA1 (0.36) | SLC6A2SLC6A4SLC6A3CA1CA2 | |
| SCHEMBL4678845 | 0.83 | CA1 (0.36) | SLC6A2SLC6A4SLC6A3CA1CA2 | |
| SCHEMBL918097 | 0.83 | CA1 (0.36) | SLC6A2SLC6A4SLC6A3CA1CA2 | |
| Hydrochloric Acid SCHEMBL17560356 | 0.81 | CA1 (0.35) | CA1CA2CA4CA9 |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2834243-A1 | PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | Lexicon Pharmaceuticals, Inc. (US) | 2015-02-11 | — | — | EP | disclosed |
| CN-101835755-B | Novel kinase inhibitors | HOFFMANN LA ROCHE | 2013-12-11 | — | — | CN | disclosed |
| WO-2013134228-A1 | PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS, INC. (US) | 2013-09-12 | — | — | WO | disclosed |
| CN-101068825-B | Having a2A2-propynyl adenosine analogs with modified 5' -ribose groups for agonist activity | Univ Virginia Patent Found | 2013-05-08 | — | — | CN | disclosed |
| WO-2013025628-A1 | JANUS KINASE INHIBITOR COMPOUNDS AND METHODS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2013-02-21 | — | — | WO | disclosed |
| CN-102159557-A | Piperazine d3 and 5-ht2a receptor modulators | HOFFMANN LA ROCHE | 2011-08-17 | — | — | CN | disclosed |
| CN-102131781-A | 1-(4-ureidobenzoyl)piperazine derivatives | ORGANON NV | 2011-07-20 | — | — | CN | disclosed |
| US-7935703-B2 | Piperazines and piperidines as Mglur5 potentiators | ASTRAZENECA AB (SE) | 2011-05-03 | — | — | US | disclosed |
| CN-102007127-A | Furo- and thieno [3,2-c] pyridines | OSI PHARM INC | 2011-04-06 | — | — | CN | disclosed |
| WO-2011002816-A1 | THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | WO | disclosed |
| EP-1233961-A2 | METHOD FOR PRODUCING 5-(1-PIPERAZINYL)-BENZOFURAN-2-CARBOXAMIDE BY TRANSITION METAL-CATALYZED AMINATION | MERCK PATENT GmbH (DE) | 2002-08-28 | — | — | EP | disclosed |
| CN-1310709-A | N, N-substituted cyclic amine derivatives | EISAI CO LTD (JP) | 2001-08-29 | — | — | CN | disclosed |
| CN-1307560-A | Amidino and guanidino beta-azetidinone tryptase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2001-08-08 | — | — | CN | disclosed |
| EP-1107756-A1 | NOVEL ISOXAZOLINONE ANTIBACTERIAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-06-20 | — | — | EP | disclosed |
| WO-2001040219-A2 | METHOD FOR PRODUCING 5-(1-PIPERAZINYL)-BENZOFURAN-2-CARBOXAMIDE BY TRANSITION METAL-CATALYZED AMINATION | MERCK PATENT GMBH (DE) | 2001-06-07 | — | — | WO | disclosed |
| WO-2000010566-A1 | NOVEL ISOXAZOLINONE ANTIBACTERIAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-03-02 | — | — | WO | disclosed |
| EP-0973730-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998045255-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-15 | — | — | WO | disclosed |
| US-5612336-A | Heterocyclic amide derivatives as tachykinin antagonists | MERCK, SHARP & DOHME LTD. (GB) | 1997-03-18 | — | — | US | disclosed |
| WO-1994001402-A1 | HETEROCYCLIC AMIDE DERIVATIVES AS TACHYKININ DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-01-20 | — | — | WO | disclosed |