Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 7/20 | 0.38 |
| ▸ | MAOB | P27338 | 7/20 | 0.38 |
| ▸ | GSK3A | P49840 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | BCL6 | P41182 | 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 | |
|---|---|---|---|---|
| SCHEMBL19629987 | 0.72 | MAOB (0.39) | CYP11B1CYP11B2MAOAMAOBGSK3A | |
| SCHEMBL26386762 | 0.72 | MAOB (0.39) | CYP11B1CYP11B2MAOAMAOBGSK3A | |
| SCHEMBL10285185 | 0.72 | EPHX2 (0.50) | CYP11B1CYP11B2MAOAMAOBGAA | |
| SCHEMBL2123339 | 0.72 | MAOA (0.41) | CYP11B1CYP11B2MAOAMAOBGSK3A | |
| SCHEMBL23781329 | 0.72 | HTT (0.46) | CYP11B1CYP11B2MAOAMAOBEPHX2 | |
| SCHEMBL6080268 | 0.71 | ALDH1A1 (0.46) | CYP11B1CYP11B2MAOAMAOBGSK3A | |
| SCHEMBL30032262 | 0.71 | PDE3B (0.40) | CYP11B1CYP11B2MAOAMAOBGSK3A | |
| SCHEMBL706780 | 0.70 | MAOB (0.37) | CYP11B1CYP11B2MAOAMAOBGSK3A | |
| SCHEMBL2797763 | 0.70 | MAOB (0.40) | CYP11B1CYP11B2MAOAMAOBGSK3A | |
| SCHEMBL6741178 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4171571-B1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2024-10-30 | — | — | EP | disclosed |
| EP-0922045-B1 | BICYCLIC PYRIMIDINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS | SCHERING AG (DE) | 2003-04-16 | — | — | EP | disclosed |