Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21115280 | 0.88 | HDAC8 (0.56) | TSHRHDAC8ALDH1A1GRIN2BMAOB | |
| SCHEMBL3016789 | 0.87 | HDAC8 (0.35) | TSHRHDAC8CA12CA1CA2 | |
| SCHEMBL16070964 | 0.83 | APP (0.37) | TSHRPOLBTDP1APPALDH1A1 | |
| SCHEMBL15565141 | 0.83 | APP (0.42) | TSHRHDAC8APP | |
| SCHEMBL19131754 | 0.82 | ALDH1A1 (0.34) | TSHRHDAC8POLBAPPALDH1A1 | |
| SCHEMBL21323599 | 0.82 | ALOX5 (0.33) | TSHRHDAC8GRIN2B | |
| SCHEMBL14349233 | 0.82 | ALDH1A1 (0.34) | TSHRHDAC8POLBAPPALDH1A1 | |
| SCHEMBL4060946 | 0.82 | PTPN2 (0.36) | HDAC8TDP1APP | |
| SCHEMBL23157708 | 0.81 | IDO1 (0.54) | — | |
| SCHEMBL12344408 | 0.81 | ACACB (0.41) | HDAC8CA12CA1CA2CA4 |
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-116903706-A | Echinocandin medicine and preparation method and application thereof | 深圳市祥根生物有限公司 | 2023-10-20 | — | — | CN | disclosed |