Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.44 |
| ▸ | ACP1 | P24666 | 4/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8616306 | 0.89 | ABCB1 (0.40) | ABCG2ABCB1ABCC1ACP1TACR3 | |
| SCHEMBL8617537 | 0.86 | ACP1 (0.54) | ABCG2ABCB1ABCC1ACP1CA12 | |
| SCHEMBL8615219 | 0.85 | ABCG2 (0.42) | ABCG2ABCB1ABCC1ACP1TACR3 | |
| SCHEMBL8614089 | 0.85 | ABCG2 (0.44) | ABCG2ABCB1ABCC1ACP1TACR3 | |
| SCHEMBL8614080 | 0.84 | ABCB1 (0.42) | ABCG2ABCB1ABCC1ACP1 | |
| SCHEMBL8619401 | 0.84 | ABCB1 (0.44) | ABCG2ABCB1ABCC1ACP1TACR3 | |
| SCHEMBL8617753 | 0.83 | ACP1 (0.51) | ABCG2ABCB1ABCC1ACP1 | |
| SCHEMBL8618948 | 0.83 | MEN1 (0.50) | ABCG2ABCB1ABCC1ACP1 | |
| SCHEMBL8614954 | 0.82 | ABCB1 (0.44) | ABCG2ABCB1ABCC1ACP1 | |
| SCHEMBL8615808 | 0.82 | KDM4E (0.50) | ABCG2ABCB1ABCC1ACP1TACR3 |
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 |