Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6742152 | 0.88 | STS (0.50) | — | |
| SCHEMBL6744961 | 0.85 | CTSS (0.48) | — | |
| SCHEMBL6744250 | 0.82 | ALDH1A1 (0.52) | GAACYP2C19ALDH1A1USP2NPSR1 | |
| SCHEMBL5523231 | 0.82 | ALDH1A1 (0.56) | GAATSHRCYP2C19MAPTSMN1; SMN2 | |
| SCHEMBL7659537 | 0.82 | CYP2C19 (0.51) | GAATSHRCYP2C19MAPTSMN1; SMN2 | |
| SCHEMBL6742707 | 0.77 | TSHR (0.50) | GAATSHRCYP2C19MAPTSMN1; SMN2 | |
| SCHEMBL6740690 | 0.77 | CTSS (0.45) | GAAL3MBTL1 | |
| SCHEMBL6061910 | 0.75 | CTSL (0.56) | — | |
| SCHEMBL5523222 | 0.74 | NPC1 (0.53) | CYP2C19MAPTSMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL6741766 | 0.73 | CTSS (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6492362-B1 | Compounds and compositions as cathepsin S inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-12-10 | — | — | US | disclosed |