Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 9/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8618987 | 0.84 | KMT2A (0.51) | ADORA1ADORA3CYP2C9ALDH1A1MEN1 | |
| SCHEMBL8613213 | 0.81 | KMT2A (0.47) | ADORA1ADORA3CYP2C9ALDH1A1MEN1 | |
| SCHEMBL8618761 | 0.80 | MEN1 (0.56) | CYP2C9ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL8619721 | 0.79 | MEN1 (0.45) | CYP2C9ALDH1A1MEN1KMT2AGFER | |
| SCHEMBL8615990 | 0.78 | CCR6 (0.57) | CYP2C9ALDH1A1MEN1KMT2AGFER | |
| SCHEMBL8616695 | 0.78 | MEN1 (0.46) | CYP2C9ALDH1A1MEN1KMT2AGFER | |
| SCHEMBL8620933 | 0.78 | ADORA1 (0.47) | ADORA1ADORA2AADORA3CYP2C9ALDH1A1 | |
| SCHEMBL8614378 | 0.78 | MEN1 (0.44) | CYP2C9ALDH1A1MEN1KMT2AGFER | |
| SCHEMBL8619899 | 0.78 | MEN1 (0.46) | CYP2C9ALDH1A1MEN1KMT2AGFER | |
| SCHEMBL8613481 | 0.78 | KDM4E (0.56) | CYP2C9ALDH1A1MEN1KMT2ACYP1A2 |
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 |