Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 13/20 | 0.45 |
| ▸ | CASP7 | P55210 | 4/20 | 0.45 |
| ▸ | CASP9 | P55211 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7429329 | 0.67 | CASP3 (0.48) | CASP3CASP7CASP9CASP1CA12 | |
| SCHEMBL458636 | 0.66 | CA12 (0.69) | CASP3CASP7CASP9CASP1CA12 | |
| SCHEMBL5893648 | 0.66 | CA12 (0.69) | CASP3CASP7CASP9CASP1CA12 | |
| SCHEMBL30555459 | 0.66 | CASP3 (0.81) | CASP3CASP7CASP9CASP1CA12 | |
| SCHEMBL29059079 | 0.66 | CASP3 (0.81) | CASP3CASP7CASP9CASP1CA12 | |
| Trifluoroacetic Acid SCHEMBL30555217 | 0.65 | CASP3 (0.65) | CASP3CASP7CASP9CASP1 | |
| Trifluoroacetic Acid SCHEMBL29058818 | 0.65 | CASP3 (0.65) | CASP3CASP7CASP9CASP1 | |
| Hydrochloric Acid SCHEMBL5184450 | 0.65 | CA12 (0.67) | CASP3CASP7CASP9CASP1CA12 | |
| SCHEMBL454612 | 0.65 | CA12 (0.67) | CASP3CASP7CASP9CASP1CA12 | |
| SCHEMBL5858448 | 0.65 | CA12 (0.67) | CASP3CASP7CASP9CASP1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-6403792-B1 | INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS | SMITHKLINE BEECHAM CORPORATION | 2002-06-11 | — | — | US | claimed |
| US-6403792-B1 | INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS | SMITHKLINE BEECHAM CORPORATION | 2002-06-11 | — | — | US | disclosed |