Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 5/20 | 0.46 |
| ▸ | MMP9 | P14780 | 5/20 | 0.46 |
| ▸ | MMP13 | P45452 | 4/20 | 0.46 |
| ▸ | MMP3 | P08254 | 4/20 | 0.45 |
| ▸ | MMP7 | P09237 | 4/20 | 0.45 |
| ▸ | MMP8 | P22894 | 3/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9850364 | 1.00 | STS (0.51) | STSMMP1MMP9MMP13MMP3 | |
| SCHEMBL345625 | 0.89 | LMNA (0.47) | MMP13ALDH1A1MEN1KMT2AAPP | |
| SCHEMBL143674 | 0.89 | LMNA (0.47) | MMP13ALDH1A1MEN1KMT2AAPP | |
| SCHEMBL86666 | 0.89 | LMNA (0.47) | MMP13ALDH1A1MEN1KMT2AAPP | |
| SCHEMBL7918528 | 0.87 | HCRTR2 (0.49) | STSMEN1KMT2AAPPHTR1A | |
| SCHEMBL7918530 | 0.87 | HCRTR2 (0.49) | STSMEN1KMT2AAPPHTR1A | |
| SCHEMBL6535308 | 0.86 | GPR119 (0.49) | ALDH1A1MEN1KMT2AHRH2GPR119 | |
| SCHEMBL6535548 | 0.86 | GPR119 (0.49) | ALDH1A1MEN1KMT2AHRH2GPR119 | |
| SCHEMBL4809535 | 0.85 | LMNA (0.43) | MMP13ALDH1A1MEN1KMT2AAPP | |
| SCHEMBL345693 | 0.81 | GPR119 (0.44) | STSMMP13MEN1KMT2AGPR119 |
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-0430544-A1 | Process for resolving chiral intermediates used in making calcium channel blockers | E.R. SQUIBB & SONS, INC. (US) | 1991-06-05 | — | — | EP | disclosed |
| US-4963671-A | Process for resolving chiral intermediates used in making calcium channel blockers | E. R. SQUIBB & SONS, INC. (US) | 1990-10-16 | — | — | US | disclosed |