Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | COMT | P21964 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8484443 | 0.76 | HTR6 (0.50) | CA1CA2CA9HTR6 | |
| SCHEMBL17962404 | 0.76 | COMT (0.79) | KDM4ECOMT | |
| SCHEMBL2712002 | 0.74 | L3MBTL1 (0.71) | ALDH1A1LMNAKDM4EMAPTGAA | |
| Hydrochloric Acid SCHEMBL28345785 | 0.73 | L3MBTL1 (0.69) | ALDH1A1LMNAKDM4EMAPTGAA | |
| SCHEMBL4617096 | 0.73 | MAPK1 (0.68) | MAPK1CA1CA2CA9ALDH1A1 | |
| SCHEMBL28619926 | 0.72 | MAPK1 (0.50) | MAPK1CA1CA2CA9ALDH1A1 | |
| SCHEMBL7180056 | 0.71 | MAPK1 (0.70) | MAPK1CA1CA2CA9ALDH1A1 | |
| SCHEMBL27592567 | 0.71 | MAPK1 (0.70) | MAPK1CA1CA2CA9ALDH1A1 | |
| SCHEMBL8480253 | 0.71 | HTR6 (0.41) | LMNAHTR6KDM4ETSHRL3MBTL1 | |
| SCHEMBL19284658 | 0.71 | SLC6A4 (0.52) | HTR2AHTR2CSLC6A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5925635-A | 2-(OXO-1,3-PERHYDRODIAZEPINES OR 3-OXO-2,3,4,5-TETRAHYDRO-1H-2,4-BENZODIAZEPINES; ANTICOAGULANTS; ENZYME INHIBITORS OF SERINE PROTEASE THROMBIN, KALLIKREIN AND PLASMIN; NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-07-20 | — | — | US | disclosed |