Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25408423 | 0.72 | CNR1 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL21849203 | 0.72 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL31053865 | 0.71 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL25024965 | 0.71 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL391593 | 0.70 | CES2 (0.45) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL17093084 | 0.70 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL8183530 | 0.70 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL9831326 | 0.69 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL12391448 | 0.69 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL30847664 | 0.68 | MAPT (0.39) | ALDH1A1MAPTHPGDKDM4EGAA |
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-2024147972-A2 | DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF | THOMAS JEFFERSON UNIVERSITY (US) | 2024-07-11 | — | — | WO | disclosed |