Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.45 |
| ▸ | CTSL | P07711 | 4/20 | 0.45 |
| ▸ | CTSK | P43235 | 3/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6565450 | 0.79 | CTSS (0.47) | CTSSCTSLCTSKCTSBKDM4E | |
| SCHEMBL3893515 | 0.78 | CTSS (0.54) | CTSSCTSLCTSKHCRTR1KCNH2 | |
| SCHEMBL7435912 | 0.77 | CTSS (0.45) | CTSSCTSLCTSKCTSB | |
| SCHEMBL6565478 | 0.76 | CTSS (0.59) | CTSSCTSLCTSKCTSBKMT2A | |
| SCHEMBL6565447 | 0.74 | CTSS (0.49) | CTSSCTSLCTSKCTSBRAB9A | |
| SCHEMBL3033691 | 0.70 | CTSS (0.56) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3028847 | 0.70 | CTSS (0.58) | CTSSCTSLCTSKCTSB | |
| SCHEMBL4505588 | 0.70 | CTSS (0.60) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3027455 | 0.68 | CTSS (0.68) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3033151 | 0.68 | CTSS (0.61) | CTSSCTSLCTSKCTSB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |