Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | TTK | P33981 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL470309 | 0.87 | HRH3 (0.56) | HDAC3HDAC6HRH3ALDH1A1ALDH1A3 | |
| Hydrochloric Acid SCHEMBL5778800 | 0.85 | HRH3 (0.54) | HDAC3HDAC6HRH3ALDH1A1ALDH1A3 | |
| Benzene SCHEMBL28037716 | 0.82 | ALDH1A1 (0.56) | HDAC3HDAC6HRH3ALDH1A1ALDH1A3 | |
| SCHEMBL22614018 | 0.81 | HRH3 (0.45) | HDAC3HDAC6HRH3ALDH1A1ALDH1A3 | |
| Hydrochloric Acid SCHEMBL9442706 | 0.80 | HRH3 (0.65) | HDAC3HDAC6HRH3ALDH1A1ALDH1A3 | |
| SCHEMBL2043393 | 0.74 | HRH3 (0.61) | HDAC6HRH3ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL13480470 | 0.72 | CYP2A6 (0.48) | HDAC3HDAC6HRH3ALDH1A1ALDH1A3 | |
| SCHEMBL23911919 | 0.72 | CYP2A6 (0.48) | HDAC3HDAC6HRH3ALDH1A1ALDH1A3 | |
| SCHEMBL6206033 | 0.71 | ALDH1A1 (0.46) | HDAC3HDAC6HRH3ALDH1A1ALDH1A3 | |
| SCHEMBL6205526 | 0.71 | HDAC1 (0.50) | HDAC6ALDH1A1ALDH1A3ALDH3A1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3707140-B1 | PURINE BASED COMPOUNDS AS TOLL-LIKE RECEPTOR 9 ANTAGONISTS | COUNCIL SCIENT IND RES (IN) | 2021-10-13 | — | — | EP | claimed |