Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.39 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ASPH | Q12797 | 1/20 | 0.35 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4940831 | 0.83 | SSTR4 (0.40) | AGBL2SSTR4HCAR2PTGER4HDAC3 | |
| SCHEMBL8566221 | 0.83 | AGBL2 (0.38) | AGBL2SSTR4HCAR2KDM4EASPH | |
| SCHEMBL28782994 | 0.81 | SSTR4 (0.41) | AGBL2SSTR4PTGER4HDAC3HDAC1 | |
| SCHEMBL28782995 | 0.81 | AGBL2 (0.41) | AGBL2SSTR4HCAR2KDM4EASPH | |
| SCHEMBL12093598 | 0.71 | PIK3CA (0.44) | SSTR4 | |
| SCHEMBL107357 | 0.69 | HCAR2 (0.45) | AGBL2HCAR2KDM4EASPHKDM8 | |
| SCHEMBL15639062 | 0.69 | PDK2 (0.35) | AGBL2 | |
| SCHEMBL19546521 | 0.69 | CES2 (0.41) | HCAR2CES2CES1GAAKMT2A | |
| SCHEMBL8807901 | 0.67 | TRPA1 (0.51) | — | |
| SCHEMBL1881949 | 0.67 | POLB (0.42) | AGBL2HCAR2KDM4EASPHKDM8 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2802587-B1 | SUBSTITUTED, ANNELLATED IMIDAZOLES AND PYRAZOLES AND THEIR USE | BAYER IP GMBH (DE) | 2017-09-06 | — | — | EP | disclosed |
| EP-2611802-B1 | BICYCLIC AZA-HETEROCYCLES AND THEIR USE | BAYER IP GMBH (DE) | 2016-02-24 | — | — | EP | disclosed |
| EP-2635576-B1 | BENZYL-SUBSTITUTED CARBAMATES AND USE THEREOF | BAYER IP GMBH (DE) | 2015-02-25 | — | — | EP | disclosed |
| EP-2802587-A2 | SUBSTITUTED, ANNULATED IMIDAZOLES AND PYRAZOLES, AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2014-11-19 | — | — | EP | disclosed |
| EP-2635577-B1 | SUBSTITUTED 6-FLUORO-1H-PYRAZOLO[4,3-B]PYRIDINES AND USE THEREOF | BAYER IP GMBH (DE) | 2014-10-01 | — | — | EP | disclosed |
| EP-2635577-A1 | SUBSTITUTED 6-FLUORO-1H-PYRAZOLO[4,3-B]PYRIDINES AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-09-11 | — | — | EP | disclosed |
| EP-2635576-A1 | BENZYL-SUBSTITUTED CARBAMATES AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-09-11 | — | — | EP | disclosed |
| WO-2013104598-A2 | SUBSTITUTED, ANNULATED IMIDAZOLES AND PYRAZOLES, AND USE THEREOF | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-07-18 | — | — | WO | disclosed |
| EP-2611802-A1 | BICYCLIC AZA HETEROCYCLES, AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012059548-A1 | BENZYL-SUBSTITUTED CARBAMATES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-05-10 | — | — | WO | disclosed |
| WO-2012059549-A1 | SUBSTITUTED 6-FLUORO-1H-PYRAZOLO[4,3-B]PYRIDINES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-05-10 | — | — | WO | disclosed |
| WO-2012028647-A1 | BICYCLIC AZA HETEROCYCLES, AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-08 | — | — | WO | disclosed |