Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.53 |
| ▸ | CDK1 | P06493 | 2/20 | 0.53 |
| ▸ | CDK2 | P24941 | 2/20 | 0.53 |
| ▸ | GSK3A | P49840 | 2/20 | 0.53 |
| ▸ | GSK3B | P49841 | 2/20 | 0.53 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.53 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.53 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.53 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.53 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.52 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11777592 | 0.88 | HRH3 (0.47) | KDM4EMAPTGAARAB9AADORA1 | |
| SCHEMBL11772911 | 0.84 | GSK3B (0.52) | MAP4K4CDK1CDK2GSK3AGSK3B | |
| SCHEMBL11774317 | 0.83 | HRH3 (0.48) | KDM4EMAPTGAAMAPK1HRH3 | |
| SCHEMBL11773242 | 0.81 | ALDH1A1 (0.53) | KDM4EMAPTGAARAB9AMAPK1 | |
| SCHEMBL11727405 | 0.79 | MAPT (0.51) | DYRK1AKDM4EL3MBTL1MAPTGAA | |
| SCHEMBL11772561 | 0.76 | ALDH1A1 (0.52) | GSK3BKDM4EL3MBTL1MAPTGLA | |
| SCHEMBL11774973 | 0.75 | GAA (0.51) | KDM4EL3MBTL1MAPTGAARAB9A | |
| SCHEMBL11777803 | 0.73 | GSK3B (0.41) | GSK3BMAPTGAAHRH3 | |
| SCHEMBL11772710 | 0.73 | HRH3 (0.43) | KDM4EMAPTGAARAB9AHRH3 | |
| SCHEMBL11772719 | 0.73 | HRH3 (0.43) | KDM4EMAPTGAARAB9AHRH3 |
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-3994886-A | ANTIBACTERIAL | RECHERCHE ET INDUSTRIE THERAPEUTIQUES (R.I.T.) (BE) | 1976-11-30 | — | — | US | disclosed |
| US-3994887-A | ANTIBACTERIAL | RECHERCHE ET INDUSTRIE THERAPEUTIQUES (R.I.T.) (BE) | 1976-11-30 | — | — | US | disclosed |
| US-3987171-A | QUINOXALINE FUNGICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-10-19 | — | — | US | disclosed |