Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | WDR91 | A4D1P6 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL6877841 | 0.91 | CTSS (0.44) | SMN1; SMN2CTSSKMT2ANPC1 | |
| SCHEMBL6876986 | 0.90 | CTSS (0.43) | SMN1; SMN2CTSSNPC1 | |
| SCHEMBL6879857 | 0.90 | CTSS (0.43) | SMN1; SMN2CTSSMEN1KMT2AADCY1 | |
| SCHEMBL6877232 | 0.89 | METAP2 (0.47) | CTSSNPC1 | |
| SCHEMBL6880100 | 0.87 | CTSS (0.47) | KCNH2CTSSNPC1POLB | |
| SCHEMBL6879156 | 0.87 | CTSS (0.34) | SMN1; SMN2CTSSMEN1KMT2ANPC1 | |
| SCHEMBL6876745 | 0.84 | SMN1; SMN2 (0.43) | SMN1; SMN2CTSSMEN1KMT2AGAA | |
| SCHEMBL6878259 | 0.78 | CTSS (0.47) | CTSS | |
| SCHEMBL6877907 | 0.78 | CTSS (0.49) | SMN1; SMN2CTSSMEN1KMT2ANPC1 | |
| SCHEMBL6880304 | 0.77 | NPC1 (0.40) | SMN1; SMN2NPC1 |
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 |