Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22721962 | 1.00 | CHAT (0.45) | CHATCYP1A2CYP1A1CYP1B1RELA | |
| SCHEMBL9665072 | 0.81 | ALDH1A1 (0.50) | CHATCYP1A2CYP1A1CYP1B1RELA | |
| SCHEMBL9000491 | 0.81 | ALDH1A1 (0.50) | CHATCYP1A2CYP1A1CYP1B1RELA | |
| SCHEMBL28053936 | 0.77 | PTGS1 (0.50) | CHATKDM4ERAB9ALMNATP53 | |
| SCHEMBL28826352 | 0.76 | TXNRD1 (0.56) | CYP1A2CYP1A1CYP1B1NFE2L2MAPT | |
| SCHEMBL9586694 | 0.76 | ALDH1A1 (0.62) | CHATCYP1A2CYP1A1CYP1B1RELA | |
| SCHEMBL1058814 | 0.76 | ALDH1A1 (0.62) | CHATCYP1A2CYP1A1CYP1B1RELA | |
| SCHEMBL4714523 | 0.73 | MEN1 (0.47) | CHATCYP1A2CYP1A1CYP1B1RELA | |
| SCHEMBL7262198 | 0.73 | FGFR1 (0.44) | CHATCYP1A2CYP1A1CYP1B1RELA | |
| SCHEMBL7262186 | 0.73 | CYP1A2 (0.43) | CHATCYP1A2CYP1A1CYP1B1RELA |
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-2020242225-A1 | COMPOSITION FOR PREVENTING OR TREATING PROTEIN CONFORMATIONAL DISORDERS, COMPRISING IRE1α KINASE ACTIVATOR AS ACTIVE INGREDIENT | 연세대학교 산학협력단 | 2020-12-03 | — | — | WO | disclosed |