Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PPOX | P50336 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9114645 | 0.80 | ALDH1A1 (0.35) | ALDH1A1HTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9117288 | 0.80 | ALDH1A1 (0.35) | ALDH1A1HTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17970074 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HTTKMT2ATP53HPGD | |
| SCHEMBL18840210 | 0.74 | ALDH1A1 (0.46) | ALDH1A1HTTPPOX | |
| SCHEMBL6050404 | 0.70 | ALDH1A1 (0.37) | ALDH1A1HTTPPOXGAAHPGD | |
| SCHEMBL18840197 | 0.70 | ALDH1A1 (0.41) | ALDH1A1HTTPPOX | |
| SCHEMBL7511104 | 0.70 | ALDH1A1 (0.38) | ALDH1A1HTTKMT2APPOX | |
| SCHEMBL6222332 | 0.69 | ALDH1A1 (0.43) | ALDH1A1HTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8734003 | 0.69 | HTT (0.36) | ALDH1A1HTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1537360 | 0.68 | HTT (0.39) | ALDH1A1HTTCYP1A2CYP2C9CYP2C19 |
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-3613741-A1 | PREPARATION OF A DIAZABICYCLOOCTANE DERIVATIVE | Meiji Seika Pharma Co., Ltd. (JP) | 2020-02-26 | — | — | EP | disclosed |
| EP-3613740-A1 | PREPARATION OF A DIAZABICYCLOOCTANE DERIVATIVE | Meiji Seika Pharma Co., Ltd. (JP) | 2020-02-26 | — | — | EP | disclosed |