Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 8/20 | 0.32 |
| ▸ | CTSL | P07711 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7418337 | 0.79 | CTSS (0.40) | EPHX1CTSSCTSL | |
| SCHEMBL7013068 | 0.78 | CTSS (0.48) | EPHX1CTSSCTSL | |
| SCHEMBL7419722 | 0.78 | CTSS (0.47) | CTSSCTSL | |
| SCHEMBL7675072 | 0.77 | CTSS (0.42) | EPHX1CTSSCTSL | |
| SCHEMBL7692408 | 0.70 | CTSL (0.50) | CTSLALDH1A1NPSR1SMN1; SMN2TSHR | |
| SCHEMBL8296552 | 0.66 | CTSS (0.45) | CTSSCTSL | |
| SCHEMBL6107795 | 0.66 | CTSS (0.77) | CTSSCTSL | |
| SCHEMBL8296548 | 0.65 | CTSS (0.42) | CTSSCTSL | |
| SCHEMBL5927952 | 0.65 | EPHX1 (0.65) | EPHX1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5927948 | 0.65 | EPHX1 (0.65) | EPHX1ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |