Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.69 |
| ▸ | ALDH3A1 | P30838 | 8/20 | 0.69 |
| ▸ | CES1 | P23141 | 4/20 | 0.69 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.69 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.69 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 2/20 | 0.57 |
| ▸ | BCHE | P06276 | 2/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.55 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9589000 | 1.00 | ALDH1A1 (0.69) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL7611054 | 0.91 | ALDH1A1 (0.66) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL7611051 | 0.91 | ALDH1A1 (0.66) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL29506660 | 0.82 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL2087729 | 0.82 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL13627881 | 0.81 | CES1 (0.67) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| Ammonia Solution, Strong SCHEMBL27858936 | 0.81 | ALDH1A1 (0.96) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL13627885 | 0.81 | ALDH1A1 (0.54) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL13627880 | 0.80 | ALDH1A1 (0.70) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 | |
| SCHEMBL13627894 | 0.80 | LMNA (0.59) | ALDH1A1ALDH3A1CES1ALDH2CHRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5190956-A | Certain N-substituted 3-oximino-2,4-dioxoquinolin-2,4-(1H)diones useful for treating viral infections | SCHERING CORPORATION (US) | 1993-03-02 | — | — | US | disclosed |
| US-5179107-A | Herpes | SCHERING CORPORATION (US) | 1993-01-12 | — | — | US | disclosed |