Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10153293 | 0.87 | ACHE (0.45) | SMN1; SMN2NPC1RAB9AMAPTACHE | |
| SCHEMBL9959325 | 0.85 | APP (0.42) | ALDH1A1HPGDMAPTACHEMAPK1 | |
| SCHEMBL10153594 | 0.85 | ACHE (0.45) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL10153305 | 0.83 | MEN1 (0.46) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL9959247 | 0.81 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2HPGDMAPTGAA | |
| SCHEMBL9960564 | 0.81 | TRPA1 (0.38) | ALDH1A1MAPT | |
| SCHEMBL10153698 | 0.81 | ALDH1A1 (0.39) | ALDH1A1MAPTGAACYP2C9 | |
| SCHEMBL9958850 | 0.81 | MEN1 (0.43) | ALDH1A1HPGDMAPTGAACYP1A2 | |
| SCHEMBL10153995 | 0.79 | GRM4 (0.44) | SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL10153686 | 0.77 | MEN1 (0.46) | ALDH1A1SMN1; SMN2NPC1HPGDRAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |