Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.49 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | DHPS | P49366 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30577111 | 0.81 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP2A13PARP10PARP11 | |
| SCHEMBL11710730 | 0.79 | CYP2A6 (0.43) | CYP2A6ALDH1A1CYP2A13CYP2E1CYP2C9 | |
| SCHEMBL16057641 | 0.76 | MKNK1 (0.48) | PARP10PARP11CYP1A2CYP11B2GPR35 | |
| SCHEMBL30185823 | 0.74 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1 | |
| SCHEMBL28350239 | 0.72 | ALDH1A1 (0.53) | CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1 | |
| SCHEMBL30109018 | 0.71 | CYP2A6 (0.53) | CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1 | |
| SCHEMBL31743133 | 0.71 | GRM2 (0.71) | CYP1A2CYP11B2GRM2 | |
| SCHEMBL1130074 | 0.70 | CYP2A6 (0.49) | CYP2A6ALDH1A1PARP10PARP11CYP3A4 | |
| SCHEMBL30675016 | 0.70 | BRD4 (0.56) | ALDH1A1CYP1A2P4HTMKDM4ESMN1; SMN2 | |
| SCHEMBL11081174 | 0.70 | BRD4 (0.58) | ALDH1A1MAOBGRM2GSK3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116323589-A | Pyridone compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-116323589-A | Pyridone compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2023-06-23 | — | — | CN | disclosed |