Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | CTSS | P25774 | 2/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL5526530 | 0.90 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2KDM4EPKMCTSS | |
| SCHEMBL5530337 | 0.86 | CTSS (0.56) | ALDH1A1SMN1; SMN2KDM4ECTSSCTSL | |
| SCHEMBL7591245 | 0.84 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM4EPKMCTSS | |
| SCHEMBL6866910 | 0.81 | CYP3A4 (0.57) | ALDH1A1SMN1; SMN2KDM4EPKMCTSS | |
| SCHEMBL7046490 | 0.79 | PKM (0.54) | ALDH1A1SMN1; SMN2KDM4EPKMLMNA | |
| SCHEMBL5526532 | 0.78 | PKM (0.53) | ALDH1A1SMN1; SMN2KDM4EPKMLMNA | |
| SCHEMBL6874696 | 0.77 | CPB2 (0.55) | CTSSCTSLCTSBPOLB | |
| SCHEMBL6876245 | 0.75 | CTSS (0.64) | SMN1; SMN2PKMCTSSCTSLCTSB | |
| SCHEMBL7275086 | 0.75 | CTSS (0.51) | ALDH1A1SMN1; SMN2CTSSCTSLPOLB | |
| SCHEMBL7268082 | 0.75 | CTSS (0.51) | ALDH1A1SMN1; SMN2CTSSCTSLPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1452522-A2 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2004-09-01 | — | — | EP | disclosed |