Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 13/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11601463 | 0.96 | CASP3 (0.43) | CASP3FKBP1A | |
| SCHEMBL11601211 | 0.82 | CASP3 (0.45) | CASP3FKBP1AHPGD | |
| SCHEMBL10552578 | 0.78 | CASP3 (0.46) | CASP3HPGD | |
| SCHEMBL23897220 | 0.74 | CASP3 (0.49) | CASP3HPGD | |
| SCHEMBL583415 | 0.73 | CASP3 (0.48) | CASP3HPGD | |
| SCHEMBL11102646 | 0.73 | MMP8 (0.35) | FKBP1A | |
| SCHEMBL10549327 | 0.72 | CASP3 (0.41) | CASP3FKBP1A | |
| SCHEMBL17595517 | 0.70 | HPGD (0.41) | CASP3FKBP1AHPGD | |
| SCHEMBL17595518 | 0.70 | HPGD (0.41) | CASP3FKBP1AHPGD | |
| SCHEMBL2261903 | 0.70 | CASP3 (0.43) | CASP3FKBP1AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4070361-A | Mercaptoalkylsulfonyl proline and pipecolic acid and esters thereof | E. R. SQUIBB & SONS, INC. (US) | 1978-01-24 | — | — | US | disclosed |