Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.35 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29681096 | 1.00 | CYP2A6 (0.39) | CYP2A6CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL24528681 | 0.82 | ALDH1A1 (0.39) | CCNB2CDK1CCNB1CDK5CDK5R1 | |
| SCHEMBL29681271 | 0.82 | ALDH1A1 (0.39) | CCNB2CDK1CCNB1CDK5CDK5R1 | |
| SCHEMBL29681058 | 0.79 | ALDH1A1 (0.37) | CYP2A6ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL24528584 | 0.79 | ALDH1A1 (0.37) | CYP2A6ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL24528654 | 0.78 | ALDH1A1 (0.39) | ALDH1A1MAPTKMT2AMEN1ADK | |
| SCHEMBL29681135 | 0.78 | ALDH1A1 (0.39) | ALDH1A1MAPTKMT2AMEN1ADK | |
| SCHEMBL24528680 | 0.76 | ALDH1A1 (0.40) | ALDH1A1MAPTKMT2AMEN1ADK | |
| SCHEMBL24528709 | 0.74 | KDM4E (0.33) | ALDH1A1KMT2AMEN1KDM4ELMNA | |
| SCHEMBL29680934 | 0.74 | KDM4E (0.33) | ALDH1A1KMT2AMEN1KDM4ELMNA |
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-2022129376-A1 | 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2022-06-23 | — | — | WO | disclosed |