Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 4/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8617769 | 0.92 | CA2 (0.47) | CA2CA9CA12CA1ALDH1A1 | |
| SCHEMBL8613739 | 0.88 | ALDH1A1 (0.51) | CA2CA9CA12CA1ALDH1A1 | |
| SCHEMBL8613748 | 0.86 | CA2 (0.52) | CA2CA9CA12CA1ALDH1A1 | |
| SCHEMBL8614945 | 0.84 | ALDH1A1 (0.51) | CA2CA9CA12CA1ALDH1A1 | |
| SCHEMBL8620889 | 0.83 | HTT (0.61) | ALDH1A1HPGDHTTMAPTSMN1; SMN2 | |
| SCHEMBL8617037 | 0.83 | MEN1 (0.45) | CA2CA9CA12CA1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8619430 | 0.82 | HTT (0.60) | ALDH1A1HPGDHTTMAPTSMN1; SMN2 | |
| SCHEMBL8616670 | 0.81 | CA9 (0.65) | CA2CA9CA12CA1ALDH1A1 | |
| SCHEMBL8615144 | 0.81 | CA9 (0.51) | CA2CA9CA12CA1ALDH1A1 | |
| SCHEMBL8613760 | 0.81 | ALDH1A1 (0.41) | CA2CA9CA12CA1ALDH1A1 |
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 |