Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | CDC25B | P30305 | 4/20 | 0.52 |
| ▸ | CDC25A | P30304 | 1/20 | 0.52 |
| ▸ | CDC25C | P30307 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3944845 | 0.87 | TSHR (0.69) | TSHRALDH1A1HSD17B10CDC25BCDC25A | |
| Hydrochloric Acid SCHEMBL9150908 | 0.85 | TSHR (0.67) | TSHRALDH1A1HSD17B10CDC25BCDC25A | |
| SCHEMBL560709 | 0.83 | TSHR (0.73) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL9695877 | 0.80 | TSHR (0.50) | TSHRALDH1A1HSD17B10CDC25BCDC25A | |
| SCHEMBL2894636 | 0.79 | ALDH1A1 (0.72) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL11387390 | 0.79 | TSHR (0.49) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL302145 | 0.78 | TSHR (0.66) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL11296630 | 0.77 | TSHR (0.63) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL10882650 | 0.77 | CA12 (0.82) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL2137984 | 0.77 | TSHR (0.63) | TSHRCA12CA1CA2CA7 |
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-105503925-A | Activation method of bis(pinacolato)diborane and application thereof | NANJING UNIVERSITY OF TECHNOLOGY | 2016-04-20 | — | — | CN | disclosed |