Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8617771 | 0.93 | ALDH1A1 (0.40) | ALDH1A1LMNAHPGDHSP90AA1KDM4E | |
| SCHEMBL8613743 | 0.88 | ALDH1A1 (0.53) | ALDH1A1LMNAHPGDHSP90AA1KDM4E | |
| SCHEMBL8613752 | 0.87 | KMT2A (0.42) | ALDH1A1HPGDKDM4EMAPTTHRB | |
| SCHEMBL8614948 | 0.84 | HTT (0.39) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL8620892 | 0.84 | HTT (0.47) | ALDH1A1HPGDKDM4EMAPTCYP1A2 | |
| SCHEMBL8617040 | 0.83 | KEAP1 (0.41) | HTTTP53 | |
| SCHEMBL8613761 | 0.82 | TP53 (0.40) | ALDH1A1LMNAHPGDHSP90AA1KDM4E | |
| SCHEMBL8615149 | 0.82 | ALDH1A1 (0.49) | ALDH1A1LMNAHPGDHSP90AA1KDM4E | |
| SCHEMBL8616673 | 0.82 | CA2 (0.50) | KDM4EMAPTCA2CA9CA12 | |
| SCHEMBL8615234 | 0.81 | HTT (0.38) | ALDH1A1HPGDKDM4EMAPTCA2 |
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 |