Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 4/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28020386 | 0.87 | CYP1A2 (0.48) | HCRTR1HCRTR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8365557 | 0.79 | FFAR1 (0.39) | HCRTR1HCRTR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31506117 | 0.79 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL26985646 | 0.79 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL28009566 | 0.76 | KMT2A (0.36) | HCRTR1HCRTR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13294923 | 0.76 | CCNE2 (0.38) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL6270187 | 0.75 | CCNE2 (0.41) | HCRTR1HCRTR2KDM4EGRM5CCNE2 | |
| SCHEMBL4115203 | 0.72 | BTK (0.45) | NPC1RAB9A | |
| SCHEMBL10305043 | 0.71 | ABL1 (0.45) | HCRTR1HCRTR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23943310 | 0.70 | HSD17B14 (0.53) | HCRTR1HCRTR2CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010064597-A1 | PIPERIDINE DERIVATIVE | 武田薬品工業株式会社 (JP) | 2010-06-10 | — | — | WO | disclosed |