Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | HPN | P05981 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6878130 | 0.89 | KMT2A (0.46) | CTSSALDH1A1KMT2AMEN1HTT | |
| SCHEMBL6879857 | 0.87 | CTSS (0.43) | CTSSALDH1A1KMT2AMEN1MMP13 | |
| SCHEMBL6876986 | 0.87 | CTSS (0.43) | CTSSMMP13SMN1; SMN2CTSLPLAU | |
| SCHEMBL6876989 | 0.86 | CTSS (0.47) | CTSS | |
| SCHEMBL6877845 | 0.86 | CTSS (0.47) | CTSSALDH1A1KMT2AMEN1MMP13 | |
| SCHEMBL6878320 | 0.85 | CCR1 (0.40) | CTSSKMT2AMEN1SMN1; SMN2NPC1 | |
| SCHEMBL6876745 | 0.85 | SMN1; SMN2 (0.43) | CTSSALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL6879156 | 0.84 | CTSS (0.34) | CTSSKMT2AMEN1KDM4ELMNA | |
| SCHEMBL6880100 | 0.83 | CTSS (0.47) | CTSSCTSLRAB9ANPC1 | |
| SCHEMBL6878134 | 0.82 | CTSS (0.49) | CTSSALDH1A1KMT2ALMNASMN1; SMN2 |
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 |