Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 5/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | NR4A1 | P22736 | 2/20 | 0.37 |
| ▸ | APEX1 | P27695 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7010769 | 0.89 | CTSL (0.32) | CTSK | |
| SCHEMBL6343189 | 0.83 | CTSS (0.39) | KDM4EALDH1A1HPGDPOLBTDP1 | |
| SCHEMBL6343191 | 0.83 | CTSS (0.39) | KDM4EALDH1A1HPGDPOLBTDP1 | |
| SCHEMBL6343188 | 0.83 | CTSS (0.39) | KDM4EALDH1A1HPGDPOLBTDP1 | |
| SCHEMBL6355378 | 0.78 | CTSK (0.41) | HPGDPOLBMTNR1AMTNR1BRAB9A | |
| SCHEMBL6355381 | 0.78 | CTSK (0.41) | HPGDPOLBMTNR1AMTNR1BRAB9A | |
| SCHEMBL6355376 | 0.78 | CTSK (0.41) | HPGDPOLBMTNR1AMTNR1BRAB9A | |
| SCHEMBL7007830 | 0.73 | LMNA (0.33) | L3MBTL1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL7679163 | 0.73 | LMNA (0.33) | L3MBTL1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL6347362 | 0.73 | CTSS (0.40) | CTSK |
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-1322613-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2003-07-02 | — | — | EP | claimed |
| WO-2002020485-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-03-14 | — | — | WO | claimed |