Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | FABP3 | P05413 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ACP1 | P24666 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8613487 | 0.86 | KDM4E (0.44) | CYP2C9CYP3A4ABCB1ABCC1ABCG2 | |
| SCHEMBL8617812 | 0.82 | MAPK1 (0.46) | CYP2C9FABP3FABP4ADORA3ACP1 | |
| SCHEMBL8618767 | 0.81 | MAPT (0.40) | CYP2C9CYP3A4CYP2D6PPARAABCB1 | |
| SCHEMBL8613198 | 0.79 | PDE10A (0.41) | CYP2C9CYP3A4ACP1MEN1MAPT | |
| SCHEMBL8619389 | 0.79 | TACR3 (0.41) | CYP2C9ABCB1ABCC1ABCG2ADORA3 | |
| SCHEMBL8617753 | 0.78 | ACP1 (0.51) | CYP3A4ABCB1ABCC1ABCG2ACP1 | |
| SCHEMBL8615997 | 0.78 | CCR6 (0.45) | CYP2C9CYP3A4ABCB1ABCC1ABCG2 | |
| SCHEMBL8613853 | 0.78 | ALDH1A1 (0.52) | CYP2C9CYP3A4ABCB1ABCC1ABCG2 | |
| SCHEMBL8616302 | 0.77 | PDE10A (0.43) | CYP3A4ABCB1ABCG2ADORA3MEN1 | |
| SCHEMBL8616699 | 0.77 | ACP1 (0.39) | CYP2C9CYP3A4ABCB1ABCC1ABCG2 |
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 |