Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 8/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PREP | P48147 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | F13A1 | P00488 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
| ▸ | TGM1 | P22735 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10552578 | 0.96 | CASP3 (0.46) | CASP3HPGDHSD17B10EPHX1HRH3 | |
| SCHEMBL11601427 | 0.82 | CASP3 (0.43) | CASP3HPGDFKBP1A | |
| SCHEMBL11601463 | 0.78 | CASP3 (0.43) | CASP3FKBP1AHSD17B10HRH3ALDH1A1 | |
| SCHEMBL23897220 | 0.77 | CASP3 (0.49) | CASP3HPGDHSD17B10HRH3ALDH1A1 | |
| SCHEMBL11600920 | 0.77 | ALDH1A1 (0.46) | FKBP1AALDH1A1HTT | |
| SCHEMBL583415 | 0.76 | CASP3 (0.48) | CASP3HPGDHSD17B10EPHX1HRH3 | |
| SCHEMBL17595517 | 0.73 | HPGD (0.41) | CASP3HPGDFKBP1AHSD17B10EPHX1 | |
| SCHEMBL17595518 | 0.73 | HPGD (0.41) | CASP3HPGDFKBP1AHSD17B10EPHX1 | |
| SCHEMBL29894062 | 0.73 | HPGD (0.41) | CASP3HPGDFKBP1AHSD17B10EPHX1 | |
| SCHEMBL2261903 | 0.73 | CASP3 (0.43) | CASP3HPGDFKBP1AHSD17B10EPHX1 |
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 |