Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3695118 | 0.85 | OPRD1 (0.39) | ACHEOPRD1ROCK1KCNH2HTR2C | |
| SCHEMBL27731820 | 0.83 | ACHE (0.38) | ACHEOPRD1ROCK1MAPTKCNH2 | |
| SCHEMBL14388564 | 0.83 | ACHE (0.36) | ACHEOPRD1ROCK1MAPTKCNH2 | |
| SCHEMBL13611680 | 0.83 | ACHE (0.36) | ACHEOPRD1ROCK1MAPTKCNH2 | |
| SCHEMBL5605723 | 0.79 | ACHE (0.36) | ACHEOPRD1ROCK1KCNH2HTR2C | |
| SCHEMBL21042092 | 0.65 | ALDH1A1 (0.50) | OPRD1MAPTTP53ALDH1A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL28873434 | 0.64 | ALDH1A1 (0.49) | OPRD1MAPTTP53ALDH1A1CYP2C9 | |
| SCHEMBL3695648 | 0.63 | KDM4E (0.47) | ROCK1MAPTTP53MCHR1ALDH1A1 | |
| SCHEMBL29756191 | 0.62 | DRD2 (0.63) | MAPTALDH1A1KDM4ES1PR1 | |
| SCHEMBL28403784 | 0.62 | DRD2 (0.63) | MAPTALDH1A1KDM4ES1PR1 |
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-101242819-A | Hypnotics and combinations of substituted biaryl and heteroaryl compounds and therapeutic uses thereof | AVENTIS PHARMA INC (US) | 2008-08-13 | — | — | CN | disclosed |