Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.49 |
| ▸ | ESR1 | P03372 | 3/20 | 0.49 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.43 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 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 | |
|---|---|---|---|---|
| SCHEMBL38665856 | 0.87 | AKR1C3 (0.55) | AKR1C3CA7ESR2ESR1HSD17B3 | |
| SCHEMBL3175986 | 0.85 | ESR2 (0.68) | AKR1C3CA7ESR2ESR1HSD17B3 | |
| SCHEMBL20910236 | 0.80 | CA7 (0.58) | AKR1C3CA7ESR2ESR1ENPP1 | |
| SCHEMBL1265874 | 0.79 | ESR1 (0.59) | AKR1C3CA7ESR2ESR1HSD17B3 | |
| SCHEMBL20046985 | 0.78 | AKR1C3 (0.60) | AKR1C3ESR2MEN1KMT2AHDAC6 | |
| SCHEMBL2590065 | 0.78 | AKR1C3 (0.60) | AKR1C3ESR2MEN1KMT2AHDAC6 | |
| SCHEMBL22504153 | 0.77 | AKR1C3 (0.53) | AKR1C3ESR2ESR1HSD17B3ABHD6 | |
| SCHEMBL19748783 | 0.77 | OPRK1 (0.54) | AKR1C3ESR2ESR1MEN1KMT2A | |
| SCHEMBL1033548 | 0.77 | KMT2A (0.66) | AKR1C3CA7MEN1KMT2ATSHR | |
| SCHEMBL29843194 | 0.77 | KMT2A (0.66) | AKR1C3CA7MEN1KMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020200317-A1 | TETRAHYDROISOQUINOLINE SULFONYLAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 上海海雁医药科技有限公司 | 2020-10-08 | — | — | WO | disclosed |