Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8888488 | 0.84 | ALDH1A1 (0.64) | NPC1SMN1; SMN2ALDH1A1KDM4EGAA | |
| SCHEMBL8021350 | 0.82 | ALDH1A1 (0.78) | ALDH1A1KDM4ETSHRMAPK1KMT2A | |
| SCHEMBL23771906 | 0.82 | SMN1; SMN2 (0.71) | NPC1SMN1; SMN2ALDH1A1KDM4EGAA | |
| SCHEMBL13067590 | 0.81 | LOXL2 (0.61) | NPC1SMN1; SMN2ALDH1A1KDM4EGAA | |
| SCHEMBL28946325 | 0.81 | ALDH1A1 (0.51) | NPC1SMN1; SMN2ALDH1A1KDM4EGAA | |
| SCHEMBL13892960 | 0.81 | ALDH1A1 (0.64) | NPC1SMN1; SMN2ALDH1A1KDM4EGAA | |
| SCHEMBL11868697 | 0.81 | ALDH1A1 (0.64) | NPC1ALDH1A1GAAKMT2AMEN1 | |
| SCHEMBL6665979 | 0.81 | LOXL2 (0.66) | NPC1SMN1; SMN2ALDH1A1KDM4EGAA | |
| SCHEMBL2607023 | 0.81 | LOXL2 (0.66) | NPC1SMN1; SMN2ALDH1A1KDM4EGAA | |
| SCHEMBL23847807 | 0.81 | SMN1; SMN2 (0.60) | NPC1SMN1; SMN2ALDH1A1KDM4EGAA |
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-1997049668-A1 | INHIBITIORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1997-12-31 | — | — | WO | disclosed |