Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6968201 | 0.99 | GBA1 (0.38) | GBA1MAP4K1CCNA2CDK2CDK5 | |
| Hydrochloric Acid SCHEMBL6994237 | 0.90 | NPC1 (0.35) | GBA1MAP4K1CCNA2CDK2CDK5 | |
| Hydrochloric Acid SCHEMBL6962670 | 0.90 | MAP4K1 (0.35) | GBA1MAP4K1CCNA2CDK2CDK5 | |
| Hydrochloric Acid SCHEMBL6956801 | 0.87 | ADRA2A (0.38) | GBA1LMNANPSR1KMT2AKDM4E | |
| SCHEMBL6990980 | 0.87 | CCNA2 (0.37) | GBA1MAP4K1CCNA2CDK2CDK5 | |
| Hydrochloric Acid SCHEMBL6990604 | 0.86 | SMN1; SMN2 (0.38) | GBA1MAP4K1CCNA2CDK2CDK5 | |
| Hydrochloric Acid SCHEMBL6993455 | 0.86 | SMN1; SMN2 (0.38) | GBA1MAP4K1CCNA2CDK2CDK5 | |
| Hydrochloric Acid SCHEMBL6999558 | 0.86 | SMN1; SMN2 (0.38) | GBA1MAP4K1CCNA2CDK2CDK5 | |
| SCHEMBL4591366 | 0.85 | KCNH3 (0.37) | LMNAKMT2AKDM4ETSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL6968110 | 0.84 | KCNH3 (0.39) | LMNAKMT2AKDM4ETSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1879891-A1 | MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY | Nycomed GmbH (DE) | 2008-01-23 | — | — | EP | claimed |
| WO-2006117315-A1 | MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECCTIVE ACTIVITY | NYCOMED GMBH (DE) | 2006-11-09 | — | — | WO | claimed |