Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8619965 | 0.92 | ADORA3 (0.37) | CYP1A2ADORA3ADORA2AADORA2BCYP2C19 | |
| SCHEMBL8617853 | 0.88 | KDM4E (0.38) | CYP1A2ADORA3ADORA2AADORA2BCYP2C19 | |
| SCHEMBL8613400 | 0.86 | GFER (0.41) | ALDH1A1APEX1KDM4EPOLBMEN1 | |
| SCHEMBL8619697 | 0.85 | POLB (0.33) | ADORA3ADORA2AADORA2BUSP2CA12 | |
| SCHEMBL8618017 | 0.84 | CA2 (0.36) | CYP1A2ADORA3ADORA2AADORA2BCYP2C19 | |
| SCHEMBL8615227 | 0.84 | MAPT (0.33) | CYP1A2CLK4CYP2C19ALDH1A1CA12 | |
| SCHEMBL8618911 | 0.83 | C5AR1 (0.34) | ADORA3ADORA2AADORA2BUSP2CA12 | |
| SCHEMBL8616305 | 0.82 | MEN1 (0.36) | CYP1A2CYP2C19USP2ALDH1A1TACR3 | |
| SCHEMBL8616647 | 0.82 | KDM4E (0.38) | ADORA3ADORA2AADORA2BUSP2KDM4E | |
| SCHEMBL8615214 | 0.82 | PDE2A (0.38) | CYP1A2CLK4ADORA3CYP2C19ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0726254-B1 | Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds | MITSUI TOATSU CHEMICALS (JP) | 1998-05-06 | — | — | EP | disclosed |
| US-5627193-A | MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-05-06 | — | — | US | disclosed |
| EP-0726254-A1 | Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-08-14 | — | — | EP | disclosed |