Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 5/20 | 0.34 |
| ▸ | CA9 | Q16790 | 5/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19782520 | 1.00 | KDM4E (0.41) | KDM4EMGLLHSD17B10TDP1CA12 | |
| SCHEMBL6311542 | 0.80 | KDM4E (0.38) | KDM4EHSD17B10CA12CA1CA9 | |
| SCHEMBL7469724 | 0.71 | HSD17B10 (0.52) | KDM4EMGLLHSD17B10TDP1CA12 | |
| SCHEMBL18305322 | 0.71 | KDM4E (0.52) | KDM4EMGLLHSD17B10TDP1MAOA | |
| SCHEMBL15269311 | 0.71 | ENPP2 (0.52) | CA12CA1CA9 | |
| SCHEMBL19783085 | 0.70 | CA12 (0.58) | KDM4EMGLLHSD17B10TDP1CA12 | |
| SCHEMBL17874149 | 0.70 | CA12 (0.59) | KDM4EMGLLHSD17B10TDP1CA12 | |
| SCHEMBL19460974 | 0.70 | KCNA3 (0.44) | KDM4ECA12CA1CA9MAOA | |
| SCHEMBL2913405 | 0.70 | ENPP2 (0.39) | — | |
| SCHEMBL21751366 | 0.69 | ENPP2 (0.38) | — |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |