Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27771148 | 0.84 | ALDH1A1 (0.37) | ALDH1A1MAPTACHECYP1A2LCK | |
| SCHEMBL27750006 | 0.83 | HPRT1 (0.40) | ALDH1A1MAPTACHECYP1A2LCK | |
| SCHEMBL10882497 | 0.79 | HRH3 (0.47) | ALDH1A1MAPTACHECYP1A2LCK | |
| SCHEMBL27352290 | 0.79 | BRD3 (0.44) | ALDH1A1MAPTACHECYP1A2LCK | |
| Methane SCHEMBL28195370 | 0.77 | BRD3 (0.43) | ALDH1A1MAPTACHECYP1A2LCK | |
| SCHEMBL28146810 | 0.77 | HRH3 (0.46) | ALDH1A1MAPTACHECYP1A2LCK | |
| Benzene SCHEMBL27656408 | 0.77 | HRH3 (0.46) | ALDH1A1MAPTACHECYP1A2LCK | |
| SCHEMBL27648066 | 0.77 | HRH3 (0.46) | ALDH1A1MAPTACHECYP1A2LCK | |
| SCHEMBL28248418 | 0.77 | HPRT1 (0.45) | ALDH1A1MAPTACHECYP1A2LCK | |
| Methyl Alcohol SCHEMBL27765035 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTACHECYP1A2LCK |
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 |
|---|---|---|---|---|---|---|---|
| CN-105753872-B | Two spiropiperidines or spiropyrrolidines derivatives | 第三共株式会社 | 2017-11-17 | — | — | CN | disclosed |