Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MPI | P34949 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | SORD | Q00796 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9302368 | 0.82 | KDM4E (0.54) | KDM4EALDH1A1MEN1MAPTHPGD | |
| SCHEMBL9301150 | 0.80 | KDM4E (0.51) | KDM4EALDH1A1MEN1MAPTHPGD | |
| SCHEMBL9301446 | 0.80 | KDM4E (0.51) | KDM4EALDH1A1MEN1MAPTHPGD | |
| SCHEMBL7598339 | 0.69 | MEN1 (0.53) | KDM4EALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL3901203 | 0.69 | CYP3A4 (0.52) | MEN1MAPTKMT2AMAOAMAOB | |
| SCHEMBL9301722 | 0.69 | P2RY14 (0.63) | KDM4EALDH1A1MEN1MAPTHPGD | |
| SCHEMBL9246440 | 0.69 | KDM4E (0.67) | KDM4EALDH1A1MEN1MAPTHPGD | |
| SCHEMBL5108266 | 0.68 | ALDH1A1 (0.46) | KDM4EALDH1A1MEN1MAPTHPGD | |
| SCHEMBL7812999 | 0.68 | MEN1 (0.51) | KDM4EALDH1A1MEN1MAPTHPGD | |
| SCHEMBL9302158 | 0.67 | ALDH1A1 (0.50) | KDM4EALDH1A1MEN1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5308852-A | Cardiovascular disorders | MERCK FROSST CANADA, INC. (CA) | 1994-05-03 | — | — | US | disclosed |
| EP-0579304-A1 | Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA INC. (CA) | 1994-01-19 | — | — | EP | disclosed |
| WO-1994000444-A1 | HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1994-01-06 | — | — | WO | disclosed |