Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.52 |
| ▸ | NQO2 | P16083 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TNKS2 | Q9H2K2 | 8/20 | 0.47 |
| ▸ | TNKS | O95271 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29901754 | 1.00 | PARP1 (0.52) | PARP1NQO2KDM4EMEN1POLB | |
| SCHEMBL1387202 | 0.82 | TNKS2 (0.66) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6826399 | 0.74 | KDM4E (0.56) | PARP1KDM4EPOLBLMNACYP1A2 | |
| SCHEMBL28325027 | 0.74 | KDM4E (0.62) | NQO2KDM4EMEN1POLBMAPT | |
| SCHEMBL14843172 | 0.73 | NQO2 (0.56) | PARP1NQO2KDM4EMEN1POLB | |
| SCHEMBL16366494 | 0.72 | PARP1 (0.64) | PARP1KDM4EMAPTCYP1A2CYP2D6 | |
| SCHEMBL19302622 | 0.71 | KDM4E (0.69) | NQO2KDM4EMEN1POLBMAPT | |
| SCHEMBL3423322 | 0.70 | NQO2 (0.57) | PARP1NQO2KDM4EMEN1POLB | |
| SCHEMBL3239485 | 0.70 | NQO2 (0.53) | PARP1NQO2KDM4EMEN1POLB | |
| SCHEMBL17831899 | 0.70 | PARP1 (0.53) | PARP1KDM4EMAPTLMNACYP1A2 |
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-115028644-A | SOS1 inhibitor heterocyclic compounds | 首药控股(北京)股份有限公司 | 2022-09-09 | — | — | CN | disclosed |