Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.54 |
| ▸ | LMNA | P02545 | 7/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 9/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | CASP6 | P55212 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4461917 | 0.91 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4470646 | 0.87 | KDM4E (0.53) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4458598 | 0.87 | KDM4E (0.53) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4458008 | 0.87 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4461354 | 0.84 | KDM4E (0.58) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4470211 | 0.84 | LMNA (0.56) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4468708 | 0.84 | ALDH1A1 (0.54) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4471636 | 0.84 | ALDH1A1 (0.57) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4467701 | 0.83 | ALDH1A1 (0.48) | ALDH1A1KDM4ELMNASMN1; SMN2NPC1 | |
| SCHEMBL4465375 | 0.82 | ALDH1A1 (0.53) | 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 |