Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 18/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 8/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15944028 | 1.00 | HCRTR2 (0.36) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL15944065 | 0.88 | HCRTR1 (0.47) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL15711500 | 0.88 | HCRTR2 (0.41) | HCRTR2HCRTR1 | |
| SCHEMBL15943988 | 0.88 | HCRTR2 (0.41) | HCRTR2HCRTR1 | |
| SCHEMBL15944014 | 0.82 | HCRTR2 (0.42) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL15711496 | 0.82 | HCRTR2 (0.42) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL15711482 | 0.80 | HCRTR2 (0.40) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL15673220 | 0.79 | HCRTR2 (0.55) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL15944012 | 0.79 | HCRTR2 (0.43) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL15944064 | 0.78 | HCRTR2 (0.41) | HCRTR2HCRTR1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2730573-A1 | METHYLPIPERIDINE DERIVATIVE | Taisho Pharmaceutical Co., Ltd. (JP) | 2014-05-14 | — | — | EP | disclosed |