Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.38 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.38 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.38 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18263711 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2L3MBTL1ALDH1A1KDM4ETDP1 | |
| SCHEMBL27342681 | 0.81 | SMN1; SMN2 (0.57) | SMN1; SMN2L3MBTL1ALDH1A1KDM4ETDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL6282631 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2L3MBTL1ALDH1A1KDM4ETDP1 | |
| SCHEMBL18788012 | 0.77 | SMN1; SMN2 (0.48) | SMN1; SMN2L3MBTL1ALDH1A1KDM4ETDP1 | |
| SCHEMBL29965849 | 0.76 | SMN1; SMN2 (0.67) | SMN1; SMN2L3MBTL1ALDH1A1KDM4ETDP1 | |
| SCHEMBL4388586 | 0.76 | SMN1; SMN2 (0.67) | SMN1; SMN2L3MBTL1ALDH1A1KDM4ETDP1 | |
| SCHEMBL6921056 | 0.76 | SMN1; SMN2 (0.67) | SMN1; SMN2L3MBTL1ALDH1A1KDM4ELMNA | |
| SCHEMBL12717303 | 0.76 | SMN1; SMN2 (0.67) | SMN1; SMN2L3MBTL1ALDH1A1KDM4ELMNA | |
| SCHEMBL946635 | 0.76 | SMN1; SMN2 (0.67) | SMN1; SMN2L3MBTL1ALDH1A1KDM4ETDP1 | |
| SCHEMBL27874744 | 0.75 | SMN1; SMN2 (0.46) | SMN1; SMN2L3MBTL1ALDH1A1KDM4ETDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | claimed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | claimed |