Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | HMGCR | P04035 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24226822 | 0.73 | TAAR1 (0.36) | PTGS2SMPD3SMN1; SMN2ALDH1A1TAAR1 | |
| SCHEMBL13082756 | 0.73 | PTGS2 (0.34) | PTGS2CYP3A4SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL30646151 | 0.72 | KMT2A (0.41) | HMGCRSMN1; SMN2 | |
| SCHEMBL22042471 | 0.71 | ALDH1A1 (0.40) | PTGS2MAPTCYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL23912350 | 0.68 | SMN1; SMN2 (0.38) | MAPTSMN1; SMN2ALDH1A1KDM4EPDE4A | |
| SCHEMBL12202933 | 0.67 | P2RX3 (0.41) | PTGS2HMGCRMAPTCYP3A4SMN1; SMN2 | |
| SCHEMBL118146 | 0.66 | CYP3A4 (0.44) | PTGS2MAPTCYP3A4SMPD3ALDH1A1 | |
| SCHEMBL24920246 | 0.64 | PDE4A (0.32) | MAPTCYP3A4SMN1; SMN2POLBKDM4E | |
| SCHEMBL13952464 | 0.64 | PTGS2 (0.36) | PTGS2ALDH1A1TAAR1 | |
| SCHEMBL72546 | 0.64 | PDE4A (0.39) | MAPTCYP3A4ALDH1A1TAAR1NFKB1 |
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-3892278-B1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2024-02-28 | — | — | EP | disclosed |
| EP-3892278-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2021-10-13 | — | — | EP | disclosed |