Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | TACR3 | P29371 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8620102 | 0.91 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL8620889 | 0.89 | HTT (0.61) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL8615229 | 0.88 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8619430 | 0.88 | HTT (0.60) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL8617843 | 0.88 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL8616670 | 0.86 | CA9 (0.65) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL8613748 | 0.85 | CA2 (0.52) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL8615678 | 0.85 | ESR1 (0.54) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL8619081 | 0.85 | CA2 (0.56) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL8619396 | 0.84 | KMT2A (0.43) | ALDH1A1HPGDKDM4EMEN1KMT2A |
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 |