Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | F11 | P03951 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 6/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29018543 | 1.00 | CA12 (0.46) | CA12CA9CA1CA3CA4 | |
| SCHEMBL15043776 | 0.84 | CA12 (0.47) | CA12CA9CA1CA3CA4 | |
| SCHEMBL30270565 | 0.78 | KDM4E (0.59) | CA12CA9CA1CA3CA4 | |
| SCHEMBL4440417 | 0.78 | KDM4E (0.59) | CA12CA9CA1CA3CA4 | |
| SCHEMBL10223030 | 0.77 | HSP90AA1 (0.33) | MAPK1MGLLPDE3BPDE3AKDM4E | |
| SCHEMBL24125147 | 0.76 | CA12 (0.47) | CA12CA9CA1CA3CA4 | |
| SCHEMBL4435557 | 0.76 | LCK (0.47) | CA12CA9CA1CA3CA4 | |
| SCHEMBL15046545 | 0.76 | KIF11 (0.53) | CA12CA9CA1CA7CA14 | |
| SCHEMBL4434572 | 0.76 | CA12 (0.43) | CA12CA9CA1CA3CA4 | |
| SCHEMBL10223037 | 0.74 | ALDH1A1 (0.59) | MAPK1KDM4EALDH1A1HPGDENPP2 |
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-116368128-A | Heterocyclic compounds as CBP/EP300 bromodomain inhibitors | 奥瑞基尼肿瘤有限公司 | 2023-06-30 | — | — | CN | disclosed |