Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | HSD17B3 | P37058 | 6/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | KDM5A | P29375 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27908329 | 0.84 | GSK3B (0.50) | NPC1RAB9AALDH1A1POLBRECQL | |
| SCHEMBL9402963 | 0.81 | ALDH1A1 (0.44) | CA1CA2NPC1RAB9AALDH1A1 | |
| SCHEMBL9402939 | 0.80 | CA1 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27908332 | 0.80 | PLOD2 (0.55) | MPOCYP3A4HIF1AALDH1A1KDM4E | |
| SCHEMBL434768 | 0.79 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3987484 | 0.77 | NPC1 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9449257 | 0.76 | ESR2 (0.68) | CA1CA2NPC1RAB9ACYP3A4 | |
| SCHEMBL14271130 | 0.76 | HTT (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6351346 | 0.74 | HSD17B3 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27745056 | 0.74 | BLM (0.61) | CA12CA1CA2CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101417937-B | Beta-aldehyde ketones antibacterial compounds and use thereof | UNIV SUN YAT SEN | 2013-05-29 | — | — | CN | claimed |
| CN-101417937-B | Beta-aldehyde ketones antibacterial compounds and use thereof | UNIV SUN YAT SEN | 2013-05-29 | — | — | CN | disclosed |