Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.78 |
| ▸ | GAA | P10253 | 1/20 | 0.74 |
| ▸ | DRD2 | P14416 | 1/20 | 0.65 |
| ▸ | PTGES | O14684 | 4/20 | 0.62 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | GSK3A | P49840 | 1/20 | 0.56 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4172922 | 0.92 | ALDH1A1 (0.78) | ALDH1A1KDM4EGAADRD2PTGES | |
| SCHEMBL10407060 | 0.88 | KDM4E (1.00) | ALDH1A1KDM4EGAADRD2PTGES | |
| SCHEMBL11252512 | 0.85 | GAA (1.00) | ALDH1A1KDM4EGAAMAPK1NPC1 | |
| SCHEMBL6677466 | 0.80 | MAPK1 (0.75) | ALDH1A1KDM4EGAAMAPK1NPC1 | |
| SCHEMBL11250306 | 0.80 | GAA (0.70) | ALDH1A1KDM4EGAAMAPK1NPC1 | |
| SCHEMBL11160288 | 0.79 | KDM4E (0.82) | ALDH1A1KDM4EDRD2PTGESALOX5 | |
| SCHEMBL11159845 | 0.79 | KDM4E (0.82) | ALDH1A1KDM4EDRD2PTGESALOX5 | |
| SCHEMBL11153382 | 0.79 | KDM4E (0.82) | ALDH1A1KDM4EDRD2PTGESALOX5 | |
| SCHEMBL11245260 | 0.79 | KDM4E (0.90) | ALDH1A1KDM4EDRD2PTGESALOX5 | |
| Lonazolac SCHEMBL25221 | 0.79 | KDM4E (1.00) | ALDH1A1KDM4EDRD2PTGESALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0094555-A1 | Substituted 2-pyrazolin-4-acetic acids, process for their preparation, their use and agents containing them | Kohl, Bernhard, Dr. (DE) | 1983-11-23 | — | — | EP | disclosed |
| US-4325962-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS | BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1982-04-20 | — | — | US | disclosed |
| US-4146721-A | ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1979-03-27 | — | — | US | disclosed |