Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4468714 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KDM4ELMNASMN1; SMN2HPSE | |
| Aspirin SCHEMBL4461357 | 0.86 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4471632 | 0.86 | KMT2A (0.51) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| Aspirin SCHEMBL4461355 | 0.86 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4465370 | 0.85 | EGLN1 (0.53) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4461914 | 0.85 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4461920 | 0.85 | FEN1 (0.55) | ALDH1A1KDM4ELMNANPC1RAB9A | |
| SCHEMBL4461928 | 0.85 | FEN1 (0.55) | ALDH1A1KDM4ELMNANPC1RAB9A | |
| Salicylic Acid SCHEMBL4456438 | 0.84 | ALDH1A1 (0.64) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| Salicylic Acid SCHEMBL4456443 | 0.84 | ALDH1A1 (0.64) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009140215-A2 | METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS | GERAGHTY, ERIN (US) | 2009-11-19 | — | — | WO | claimed |
| WO-2009140215-A2 | METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS | GERAGHTY, ERIN (US) | 2009-11-19 | — | — | WO | disclosed |