Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | HSD17B1 | P14061 | 8/20 | 0.53 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | HPGDS | O60760 | 2/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
| ▸ | RXRB | P28702 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2076830 | 0.88 | CA12 (0.65) | CA12CA1CA2CA9CA14 | |
| SCHEMBL19497926 | 0.83 | CA12 (0.63) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6355405 | 0.83 | CA12 (0.63) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28943519 | 0.83 | CA12 (0.52) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6350965 | 0.83 | CA12 (0.71) | CA12CA1CA2CA9CA14 | |
| SCHEMBL31337006 | 0.82 | EGFR (0.65) | CA12CA1CA2CA9CA14 | |
| SCHEMBL4700092 | 0.82 | EGFR (0.65) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2344130 | 0.82 | SLC7A5 (0.52) | CA12CA1CA2CA9CA14 | |
| SCHEMBL68806 | 0.82 | ESR1 (0.53) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL18608496 | 0.81 | RXRA (0.53) | CA12CA1CA2CA9CA14 |
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-2019149205-A1 | BENZOHETEROARYL DERIVATIVE AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2019-08-08 | — | — | WO | disclosed |