Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | RECQL | P46063 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28601825 | 0.83 | XDH (0.41) | CYP3A4ACHECA12CA1CA2 | |
| SCHEMBL1636595 | 0.83 | KDM4E (0.43) | CYP3A4ACHECA12CA1CA2 | |
| SCHEMBL28555327 | 0.83 | CA12 (0.56) | CYP3A4ACHECA12CA1CA2 | |
| SCHEMBL23796581 | 0.81 | CYP3A4 (0.56) | CYP3A4ACHECA12CA1CA2 | |
| SCHEMBL2318334 | 0.81 | CYP3A4 (0.56) | CYP3A4ACHECA12CA1CA2 | |
| SCHEMBL24379242 | 0.80 | POLB (0.54) | CYP3A4ACHECA12CA1CA2 | |
| SCHEMBL25381284 | 0.80 | ABL1 (0.45) | PDK2GAAHPGDALDH1A1LMNA | |
| SCHEMBL17694369 | 0.80 | CYP3A4 (0.53) | CYP3A4CA1CA2GAAPOLB | |
| SCHEMBL31719787 | 0.80 | SOS1 (0.41) | CYP3A4ACHECA12CA1CA2 | |
| SCHEMBL29608598 | 0.80 | GAA (0.46) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021129827-A1 | BENZO FUSED RING-BASED COMPOUND | 南京明德新药研发有限公司 | 2021-07-01 | — | — | WO | disclosed |