Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 7/20 | 0.50 |
| ▸ | CA2 | P00918 | 6/20 | 0.50 |
| ▸ | CA12 | O43570 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8615492 | 0.87 | CA2 (0.53) | CA9CA2CA12CA1ALDH1A1 | |
| SCHEMBL8612612 | 0.86 | ALDH1A1 (0.44) | CA9CA2CA12CA1ALDH1A1 | |
| SCHEMBL8616670 | 0.86 | CA9 (0.65) | CA9CA2CA12CA1ALDH1A1 | |
| SCHEMBL8618109 | 0.85 | CA2 (0.51) | CA9CA2CA12CA1ALDH1A1 | |
| SCHEMBL8619081 | 0.84 | CA2 (0.56) | CA9CA2CA12CA1ALDH1A1 | |
| SCHEMBL8617279 | 0.84 | CA2 (0.50) | CA9CA2CA12CA1ALDH1A1 | |
| SCHEMBL8615835 | 0.82 | CA2 (0.48) | CA9CA2CA12CA1ALDH1A1 | |
| SCHEMBL8614043 | 0.81 | KMT2A (0.50) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL8618938 | 0.81 | CA2 (0.49) | CA9CA2CA12CA1ALDH1A1 | |
| SCHEMBL8619277 | 0.81 | CA2 (0.47) | CA9CA2CA12CA1ALDH1A1 |
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 |