Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PPID | Q08752 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7435739 | 0.92 | NR1H4 (0.35) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7434286 | 0.88 | NR1H4 (0.36) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7426246 | 0.87 | NR1H4 (0.34) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7021496 | 0.87 | CTSS (0.41) | NR1H4CTSLCTSBCTSSCTSK | |
| SCHEMBL7443241 | 0.86 | SLC1A2 (0.36) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL6565033 | 0.85 | NR1H4 (0.37) | NR1H4MAPTMEN1KMT2ANPC1 | |
| SCHEMBL7441339 | 0.85 | NR1H4 (0.37) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7438970 | 0.83 | CHRNB2 (0.35) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL6563730 | 0.82 | NR1H4 (0.35) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7018986 | 0.81 | CTSS (0.43) | CTSLCTSBCTSSCTSKL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |