Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.36 |
| ▸ | CTSB | P07858 | 4/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.33 |
| ▸ | SNCA | P37840 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7419245 | 0.83 | SIGMAR1 (0.41) | CTSSCTSBCTSLCTSKNPC1 | |
| SCHEMBL7021621 | 0.82 | RXFP1 (0.34) | CTSSCTSBCTSLCTSKCYP2D6 | |
| SCHEMBL7420191 | 0.78 | SNCA (0.34) | CTSSCTSBCTSLCTSKCYP2D6 | |
| SCHEMBL7420985 | 0.77 | ALDH1A1 (0.43) | MEN1KMT2A | |
| SCHEMBL7021618 | 0.74 | SNCA (0.34) | CTSSCTSLCTSKCYP2D6SLC6A2 | |
| SCHEMBL7415546 | 0.73 | PSEN1 (0.34) | CTSSCTSKCYP2D6 | |
| SCHEMBL7533079 | 0.72 | — | — | |
| SCHEMBL7416904 | 0.72 | SNCA (0.35) | CTSSCTSBCTSLCTSKCYP2D6 | |
| SCHEMBL6371524 | 0.72 | L3MBTL1 (0.40) | CTSSCTSKMEN1KMT2AHTT | |
| SCHEMBL6371523 | 0.72 | SNCA (0.33) | CTSSCTSKSLC6A2SLC6A4SLC6A3 |
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-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |