Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | HTR1A | P08908 | 2/20 | 0.56 |
| ▸ | DRD2 | P14416 | 2/20 | 0.56 |
| ▸ | HTR2A | P28223 | 2/20 | 0.56 |
| ▸ | DRD3 | P35462 | 2/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | DRD5 | P21918 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7372250 | 0.93 | SIGMAR1 (0.81) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8011291 | 0.91 | DRD2 (0.65) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8001978 | 0.89 | DRD2 (0.63) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8001944 | 0.87 | DRD2 (0.65) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8012789 | 0.84 | DRD2 (0.60) | SIGMAR1HTR1ADRD2HTR2ADRD3 | |
| SCHEMBL256669 | 0.83 | DRD2 (0.58) | SIGMAR1HTR1ADRD2HTR2ADRD3 | |
| SCHEMBL11518718 | 0.82 | CCR3 (0.73) | SIGMAR1CYP1A2CYP3A4CYP2D6HTR2A | |
| SCHEMBL8571166 | 0.81 | DRD2 (0.59) | SIGMAR1HTR1ADRD2HTR2ADRD3 | |
| SCHEMBL6998658 | 0.81 | DRD2 (0.59) | SIGMAR1HTR1ADRD2HTR2ADRD3 | |
| SCHEMBL3595429 | 0.81 | DRD2 (0.59) | SIGMAR1MEN1TP53CYP1A2CYP3A4 |
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-114950558-B | Bipiperidine skeleton tetradentate nitrogen-containing manganese catalyst and method for catalyzing hydrocarbon molecule benzyl site selective oxidation by using same | 陕西师范大学 | 2023-08-11 | — | — | CN | disclosed |
| CN-114950558-A | Bipiperidine skeleton tetradentate nitrogen-containing manganese catalyst and method for catalyzing benzyl-site selective oxidation of hydrocarbon molecules by using same | 陕西师范大学 | 2022-08-30 | — | — | CN | disclosed |