Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28274801 | 0.98 | TSHR (0.40) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL9711562 | 0.86 | TSHR (0.39) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL74039 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL74284 | 0.78 | TSHR (0.43) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL28355267 | 0.76 | — | — | |
| SCHEMBL28718235 | 0.75 | TSHR (0.46) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL5856664 | 0.74 | TSHR (0.40) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL17130467 | 0.74 | TSHR (0.40) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL667630 | 0.74 | TSHR (0.50) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL167149 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106029649-A | Ethynyl derivatives | 豪夫迈·罗氏有限公司 | 2016-10-12 | — | — | CN | disclosed |