Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
| ▸ | ACP1 | P24666 | 5/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.33 |
| ▸ | CTPS1 | P17812 | 1/20 | 0.33 |
| ▸ | GAK | O14976 | 1/20 | 0.32 |
| ▸ | STK16 | O75716 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8617822 | 0.97 | ACLY (0.38) | ACLYACP1ADORA1ALOX5APFEN1 | |
| SCHEMBL8615331 | 0.87 | ALDH1A1 (0.41) | ACP1ABCB1ABCC1ABCG2MEN1 | |
| SCHEMBL8614953 | 0.83 | ALDH1A1 (0.42) | ACP1ADORA1ADORA3ADORA2AABCB1 | |
| SCHEMBL8613211 | 0.82 | ADORA1 (0.38) | ACP1ADORA1ADORA3ADORA2AABCB1 | |
| SCHEMBL8620212 | 0.81 | SGK1 (0.38) | ACLYACP1ADORA1ADORA3ADORA2A | |
| SCHEMBL8615265 | 0.79 | MRGPRX1 (0.37) | ACP1ADORA1ABCB1ABCC1ABCG2 | |
| SCHEMBL8614064 | 0.79 | ABCB1 (0.50) | ACP1ADORA1ADORA3ADORA2AABCB1 | |
| SCHEMBL8617724 | 0.78 | ABCG2 (0.41) | ACP1ABCB1ABCC1ABCG2MEN1 | |
| SCHEMBL8616263 | 0.77 | ABCB1 (0.40) | ACP1ADORA1ABCB1ABCC1ABCG2 | |
| SCHEMBL8616598 | 0.77 | ABCG2 (0.40) | ACP1ABCB1ABCC1ABCG2MEN1 |
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 |