Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | QPCT | Q16769 | 1/20 | 0.34 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20595095 | 1.00 | CYP4A11 (0.39) | CYP4A11CYP4F2ALDH1A1MAPK1MTNR1A | |
| SCHEMBL29285159 | 1.00 | CYP4A11 (0.39) | CYP4A11CYP4F2ALDH1A1MAPK1MTNR1A | |
| SCHEMBL24174014 | 0.90 | PDE4B (0.35) | NAMPTPDE4BCYP1A2QPCTQPCTL | |
| SCHEMBL22686919 | 0.90 | PDE4B (0.35) | NAMPTPDE4BCYP1A2QPCTQPCTL | |
| SCHEMBL29285185 | 0.90 | PDE4B (0.35) | NAMPTPDE4BCYP1A2QPCTQPCTL | |
| SCHEMBL642149 | 0.87 | TAAR1 (0.34) | ALDH1A1MAPK1GAAHCRTR2 | |
| SCHEMBL5120488 | 0.87 | TAAR1 (0.34) | ALDH1A1MAPK1GAAHCRTR2 | |
| SCHEMBL4744840 | 0.87 | TAAR1 (0.34) | ALDH1A1MAPK1GAAHCRTR2 | |
| SCHEMBL5667133 | 0.84 | TAAR1 (0.36) | ALDH1A1MAPK1GAAHCRTR2 | |
| SCHEMBL6484394 | 0.84 | PDE4B (0.39) | MAPK1PDE4BGAA |
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-117964643-B | Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof | 苏州朗睿生物医药有限公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-117964643-A | Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof | 苏州朗睿生物医药有限公司 | 2024-05-03 | — | — | CN | disclosed |