Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KCNB1 | Q14721 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.33 |
| ▸ | KCNB2 | Q92953 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6679714 | 0.99 | ALDH1A1 (0.33) | ALDH1A1MAPTKCNB1SMN1; SMN2BAZ1A | |
| SCHEMBL6679151 | 0.81 | ALDH1A1 (0.42) | ALDH1A1MAPTSMN1; SMN2MAPK1LMNA | |
| Hydrochloric Acid SCHEMBL6675299 | 0.80 | ALDH1A1 (0.41) | ALDH1A1MAPTSMN1; SMN2MAPK1LMNA | |
| SCHEMBL7240779 | 0.79 | NR1H4 (0.35) | ALDH1A1KCNB1SMN1; SMN2BAZ1AKCNB2 | |
| SCHEMBL6678283 | 0.79 | TDP1 (0.42) | ALDH1A1MAPTSMN1; SMN2LMNAHTT | |
| SCHEMBL6676319 | 0.79 | NR1H4 (0.35) | ALDH1A1KCNB1KCNB2NR1H4KCNH2 | |
| SCHEMBL6679456 | 0.79 | SMN1; SMN2 (0.37) | ALDH1A1MAPTKCNB1SMN1; SMN2BAZ1A | |
| Hydrochloric Acid SCHEMBL6680091 | 0.78 | TDP1 (0.41) | ALDH1A1MAPTSMN1; SMN2LMNAHTT | |
| Hydrochloric Acid SCHEMBL6679722 | 0.78 | SMN1; SMN2 (0.37) | ALDH1A1MAPTSMN1; SMN2BAZ1ANR1H4 | |
| Hydrochloric Acid SCHEMBL7236369 | 0.77 | NR1H4 (0.34) | KCNB1KCNB2NR1H4KCNH2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | claimed |