Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28119260 | 0.79 | ALDH1A1 (0.33) | ALDH1A1SIGMAR1EPHX1POLB | |
| SCHEMBL28119257 | 0.79 | ALDH1A1 (0.33) | ALDH1A1SIGMAR1EPHX1POLB | |
| SCHEMBL8571021 | 0.77 | HTT (0.36) | ALDH1A1HTT | |
| SCHEMBL29416809 | 0.76 | HTT (0.36) | HTT | |
| SCHEMBL4901400 | 0.73 | EPHX1 (0.35) | ALDH1A1HTTEPHX1 | |
| SCHEMBL27543177 | 0.72 | ALDH1A1 (0.39) | ALDH1A1HTTEPHX2POLB | |
| SCHEMBL2401685 | 0.69 | MEN1 (0.48) | ALDH1A1HTT | |
| SCHEMBL29014296 | 0.68 | ATM (0.42) | ALDH1A1HTTEPHX1 | |
| SCHEMBL27477819 | 0.67 | SMN1; SMN2 (0.39) | ALDH1A1SIGMAR1POLB | |
| SCHEMBL15908723 | 0.67 | ALDH1A1 (0.42) | ALDH1A1HTTSIGMAR1EPHX1PDK1 |
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-1062536-A | Retroviral protease inhibitors from 3-chloro-2-chloromethyl-1-propylene derived | AMERICAN CYANAMID CO (US) | 1992-07-08 | — | — | CN | claimed |