Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | PTPRZ1 | P23471 | 4/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.30 |
| ▸ | KCNK10 | P57789 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15104615 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL15104616 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| Cyanide SCHEMBL3860884 | 0.76 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL694683 | 0.72 | ALDH1A1 (0.52) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL833952 | 0.72 | ALDH1A1 (0.52) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL5399931 | 0.72 | ALDH1A1 (0.52) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL695549 | 0.72 | ALDH1A1 (0.52) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL19449865 | 0.72 | ALDH1A1 (0.42) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| Hydrochloric Acid SCHEMBL17560987 | 0.71 | LMNA (0.41) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 | |
| SCHEMBL17574203 | 0.70 | ALDH1A1 (0.40) | ALDH1A1KDM4ETDP1PTPRZ1PTPN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014176636-A1 | COMPOUNDS AND METHODS OF TREATING INFECTIONS | NEOCULI PTY LTD (AU) | 2014-11-06 | — | — | WO | disclosed |