Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL15562919 | 0.83 | ALDH1A1 (0.39) | ALDH1A1NPC1MAPTRAB9APKM | |
| SCHEMBL10443672 | 0.80 | HSD17B10 (0.39) | NPC1MAPTRAB9APKMBCHE | |
| SCHEMBL7599608 | 0.79 | MAPT (0.54) | ALDH1A1NPC1MAPTRAB9APKM | |
| SCHEMBL31316696 | 0.79 | MAPT (0.54) | ALDH1A1NPC1MAPTRAB9APKM | |
| SCHEMBL12920705 | 0.77 | ALDH1A1 (0.45) | ALDH1A1NPC1MAPTRAB9APKM | |
| SCHEMBL12649849 | 0.77 | MAPT (0.39) | ALDH1A1NPC1MAPTRAB9APKM | |
| SCHEMBL17447407 | 0.73 | RAB9A (0.34) | ALDH1A1MAPTRAB9AACHEMTNR1A | |
| SCHEMBL9126556 | 0.73 | KDM4E (0.47) | ALDH1A1MAPTBCHEATMKDM4E | |
| SCHEMBL8562883 | 0.73 | HSD17B10 (0.38) | ALDH1A1MAPTPKMMTNR1AMTNR1B | |
| SCHEMBL8565239 | 0.73 | HSD17B10 (0.38) | ALDH1A1MAPTPKMMTNR1AMTNR1B |
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-2010001946-A1 | TRIAZOLE DERIVATIVE OR SALT THEREOF | アステラス製薬株式会社 (JP) | 2010-01-07 | — | — | WO | disclosed |