Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 3/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.35 |
| ▸ | HTRA1 | Q92743 | 5/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6876989 | 0.92 | CTSS (0.47) | CTSS | |
| SCHEMBL6877845 | 0.91 | CTSS (0.47) | KMT2ACTSSHTRA1ALDH1A1MEN1 | |
| SCHEMBL6876745 | 0.90 | SMN1; SMN2 (0.43) | KMT2ACTSSHTTDPP4DPP7 | |
| SCHEMBL6878134 | 0.89 | CTSS (0.49) | KMT2ACTSSHTTALDH1A1NPC1 | |
| SCHEMBL6879026 | 0.89 | CTSS (0.47) | KMT2ACTSSHTTALDH1A1MEN1 | |
| SCHEMBL6876986 | 0.89 | CTSS (0.43) | CTSSNPC1RAB9A | |
| SCHEMBL6879857 | 0.89 | CTSS (0.43) | KMT2ACTSSALDH1A1MEN1NPC1 | |
| SCHEMBL6878211 | 0.87 | CTSS (0.49) | KMT2ACTSS | |
| SCHEMBL6878320 | 0.87 | CCR1 (0.40) | KMT2ACTSSEPHX1MEN1NPC1 | |
| SCHEMBL6879156 | 0.86 | CTSS (0.34) | KMT2ACTSSHTRA1ATRMEN1 |
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-2011109470-A1 | HETEROARYL NITRILE COMPOUNDS USEFUL AS INHIBITORS OF CATHEPSIN-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-09 | — | — | WO | disclosed |