Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31546406 | 0.77 | FTO (0.49) | FTOGRIK1ALDH1A1HPGDKDM4E | |
| SCHEMBL2645840 | 0.77 | KDM4E (0.47) | FTOLTB4R2ALDH1A1MAPTHPGD | |
| SCHEMBL2645837 | 0.75 | ALDH1A1 (0.44) | PARP1FTOLTB4R2GRIK1ALDH1A1 | |
| SCHEMBL31546405 | 0.73 | NOTUM (0.47) | FTOLTB4R2ALDH1A1HPGDNPSR1 | |
| SCHEMBL15479756 | 0.73 | DHODH (0.48) | PARP1FTOALDH1A1L3MBTL1RAB9A | |
| SCHEMBL21634961 | 0.73 | ALDH1A1 (0.42) | FTOLTB4R2GRIK1ALDH1A1MAPT | |
| SCHEMBL10104417 | 0.73 | NOTUM (0.47) | FTOLTB4R2ALDH1A1HPGDNPSR1 | |
| SCHEMBL21034046 | 0.73 | LTB4R2 (0.51) | FTOLTB4R2ALDH1A1 | |
| SCHEMBL2892854 | 0.72 | GRIK1 (0.50) | PARP1GRIK1ALDH1A1KDM4E | |
| SCHEMBL993303 | 0.71 | ALDH1A1 (0.58) | ALDH1A1MAPTHPGDL3MBTL1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5438063-A | Hypotensive agents, cardiac insufficiency, increased intraocular pressure, and CNS disorders | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-08-01 | — | — | US | disclosed |
| EP-0628556-A1 | Imidazopyridines | MERCK PATENT GmbH (DE) | 1994-12-14 | — | — | EP | disclosed |