Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1713021 | 0.80 | TSHR (0.41) | TSHRNPSR1CA1CA2MMP1 | |
| SCHEMBL3133741 | 0.78 | GAA (0.42) | TSHRNPSR1CA1CA2MMP1 | |
| SCHEMBL1710988 | 0.76 | GAA (0.40) | TSHRNPSR1CA1CA2MMP1 | |
| SCHEMBL1713278 | 0.76 | CA1 (0.43) | TSHRNPSR1CA1CA2MMP1 | |
| SCHEMBL3123790 | 0.73 | SLC6A2 (0.46) | TSHRNPSR1CA1CA2MMP1 | |
| SCHEMBL1710831 | 0.71 | CA1 (0.38) | TSHRNPSR1CA1CA2MMP1 | |
| SCHEMBL2189621 | 0.71 | CYP3A4 (0.43) | NPSR1CA1CA2MMP1MMP2 | |
| SCHEMBL2629467 | 0.68 | CA1 (0.56) | TSHRNPSR1CA1CA2MMP1 | |
| SCHEMBL2190918 | 0.66 | CYP3A4 (0.45) | TSHRNPSR1CA1CA2MMP1 | |
| SCHEMBL1710830 | 0.66 | CYP3A4 (0.45) | TSHRNPSR1CA1CA2MMP1 |
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-2343977-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck Sharp & Dohme Corp. (US) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010036596-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK SHARP & DOHME CORP. (US) | 2010-04-01 | — | — | WO | disclosed |