Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | FLT3 | P36888 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3901252 | 0.84 | MAOB (0.47) | CYP2A6FLT3MAOBCA12CA1 | |
| SCHEMBL2043200 | 0.81 | CYP2A6 (0.52) | CYP2A6FLT3MAOBCA12CA1 | |
| SCHEMBL8702187 | 0.80 | CYP19A1 (0.52) | CYP2A6MAOBCA12CA1CA3 | |
| SCHEMBL3584078 | 0.78 | CYP2A6 (0.49) | CYP2A6FLT3MAOBCA12CA1 | |
| SCHEMBL11347550 | 0.77 | CYP2A6 (0.47) | CYP2A6FLT3MAOBCA12CA1 | |
| SCHEMBL5447317 | 0.74 | CYP2A6 (0.45) | CYP2A6FLT3MAOBCA12CA1 | |
| SCHEMBL17969087 | 0.73 | CYP2D6 (0.49) | CYP2A6FLT3MAOBCA12CA9 | |
| SCHEMBL23430130 | 0.72 | KDM4E (0.45) | CYP2A6FLT3MAOBPOLBTYR | |
| SCHEMBL162882 | 0.72 | NPC1 (0.52) | CYP2A6FLT3MAOBCA12CA9 | |
| SCHEMBL28909933 | 0.72 | FLT3 (0.55) | CYP2A6FLT3MAOBCA12CA1 |
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-110078717-B | Bis-benzofuran-benzimidazole salt compound with anti-tumor activity and preparation method thereof | 红河学院 | 2022-04-26 | — | — | CN | disclosed |