Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | HTR2B | P41595 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3123790 | 0.88 | SLC6A2 (0.46) | GAAHPGDNPSR1CA1CA2 | |
| SCHEMBL1710988 | 0.81 | GAA (0.40) | GAAHPGDNPSR1CA1CA2 | |
| SCHEMBL1713022 | 0.78 | TSHR (0.43) | GAAHPGDNPSR1CA1CA2 | |
| SCHEMBL3133739 | 0.78 | CYP3A4 (0.44) | GAAHPGDNPSR1CA1CA2 | |
| SCHEMBL3123731 | 0.76 | KMT2A (0.46) | GAAHPGDCACNA1BSMN1; SMN2KMT2A | |
| SCHEMBL3137930 | 0.76 | TGFBR1 (0.47) | CACNA1BSMN1; SMN2CYP3A4CYP2C19 | |
| SCHEMBL2629467 | 0.75 | CA1 (0.56) | NPSR1CA1CA2MMP1MMP2 | |
| SCHEMBL3136073 | 0.74 | GPR119 (0.50) | GAAHPGDCA1CA2SMN1; SMN2 | |
| SCHEMBL3131465 | 0.74 | TGFBR1 (0.56) | CACNA1B | |
| SCHEMBL30700186 | 0.74 | TSHR (0.60) | GAAHPGDNPSR1CA1CA2 |
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-2205083-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck Sharp & Dohme Corp. (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |