Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | CA7 | P43166 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.46 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.45 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.45 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28498389 | 0.80 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL23113 | 0.79 | CA1 (0.77) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL1796149 | 0.79 | CA1 (0.77) | CA1CA2CA7CA9CA12 | |
| SCHEMBL23875055 | 0.79 | TP53 (0.42) | CA1CA2CA7CA9CA12 | |
| SCHEMBL20154385 | 0.78 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8282675 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPTHPGDALOX15 | |
| SCHEMBL20725493 | 0.74 | KDM4E (0.44) | TSHRALDH1A1TDP1MAPK1HTT | |
| SCHEMBL21731047 | 0.74 | KDM4E (0.39) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8228846 | 0.74 | NFE2L2 (0.42) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL27891985 | 0.73 | CA1 (0.87) | CA1CA2CA7CA9CA12 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3611174-B1 | [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR | MEDSHINE DISCOVERY INC (CN) | 2022-06-08 | — | — | EP | disclosed |
| WO-2017178864-A1 | SEVEN-MEMBERED RING COMPOUNDS | IDEMITSU KOSAN CO., LTD. (JP) | 2017-10-19 | — | — | WO | disclosed |
| WO-2016198144-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2016-12-15 | — | — | WO | disclosed |
| WO-2014130582-A2 | COMPOUNDS USEFUL AS MODULATORS OF TRPM8 | SENOMYX, INC. (US) | 2014-08-28 | — | — | WO | disclosed |
| EP-2212297-B1 | INHIBITORS OF PROTEIN KINASES | INGENIUM PHARMACEUTICALS GMBH (DE) | 2011-05-25 | — | — | EP | disclosed |
| EP-1670757-B1 | PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS | LILLY CO ELI (US) | 2009-05-06 | — | — | EP | disclosed |
| EP-2053403-A2 | Affinity fishing for ligands and proteins receptors | Novo Nordisk A/S (DK) | 2009-04-29 | — | — | EP | disclosed |