Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL11601427 | 0.96 | CASP3 (0.43) | CASP3FKBP1A | |
| SCHEMBL10552578 | 0.82 | CASP3 (0.46) | CASP3HSD17B10MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL23897220 | 0.78 | CASP3 (0.49) | CASP3HSD17B10MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL11601211 | 0.78 | CASP3 (0.45) | CASP3HSD17B10MEN1KMT2AFKBP1A | |
| SCHEMBL583415 | 0.77 | CASP3 (0.48) | CASP3HSD17B10MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL11102646 | 0.77 | MMP8 (0.35) | FKBP1AMMP8MMP12MMP13NPSR1 | |
| SCHEMBL10549327 | 0.75 | CASP3 (0.41) | CASP3HSD17B10MEN1KMT2AFKBP1A | |
| SCHEMBL13619252 | 0.72 | ACE (0.41) | HSD17B10SMN1; SMN2ROCK2 | |
| SCHEMBL6783120 | 0.71 | HSD17B10 (0.43) | CASP3HSD17B10FKBP1ASMN1; SMN2NPSR1 | |
| SCHEMBL6783111 | 0.71 | HSD17B10 (0.43) | CASP3HSD17B10FKBP1ASMN1; SMN2NPSR1 |
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 |