Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | NPC1L1 | Q9UHC9 | 2/20 | 0.48 |
| ▸ | BTK | Q06187 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | PADI4 | Q9UM07 | 4/20 | 0.45 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30325458 | 1.00 | CA1 (0.51) | CA1CA2NPC1L1BTKHDAC3 | |
| SCHEMBL16841169 | 1.00 | CA1 (0.51) | CA1CA2NPC1L1BTKHDAC3 | |
| SCHEMBL18976645 | 0.91 | CA1 (0.54) | CA1CA2NPC1L1BTKHDAC3 | |
| SCHEMBL18247703 | 0.86 | KMT2A (0.47) | KMT2A | |
| SCHEMBL18192381 | 0.86 | KMT2A (0.47) | KMT2A | |
| SCHEMBL29979011 | 0.85 | CA1 (0.52) | CA1CA2NPC1L1BTKHDAC3 | |
| SCHEMBL16844216 | 0.85 | CA1 (0.48) | CA1CA2NPC1L1BTKPADI4 | |
| SCHEMBL16841185 | 0.85 | CA1 (0.48) | CA1CA2NPC1L1BTKPADI4 | |
| SCHEMBL30325417 | 0.85 | CA1 (0.48) | CA1CA2NPC1L1BTKPADI4 | |
| SCHEMBL21295091 | 0.83 | CA1 (0.52) | CA1CA2NPC1L1BTKHDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3298003-B1 | BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2023-04-19 | — | — | EP | disclosed |
| CN-107849015-B | Benzimidazole derivatives as PAD4 inhibitors | 葛兰素知识产权发展有限公司 | 2021-03-19 | — | — | CN | disclosed |