Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL729057 | 0.87 | LTA4H (0.44) | ALDH1A1ALPIPKMPTGS1XIAP | |
| SCHEMBL713212 | 0.87 | LTA4H (0.44) | ALDH1A1ALPIPKMPTGS1XIAP | |
| Hydrochloric Acid SCHEMBL7273689 | 0.86 | LTA4H (0.43) | ALDH1A1ALPIPKMPTGS1XIAP | |
| Hydrochloric Acid SCHEMBL7273682 | 0.86 | LTA4H (0.43) | ALDH1A1ALPIPKMPTGS1XIAP | |
| Hydrochloric Acid SCHEMBL9515682 | 0.86 | LTA4H (0.43) | ALDH1A1ALPIPKMPTGS1XIAP | |
| Hydrochloric Acid SCHEMBL9515675 | 0.86 | LTA4H (0.43) | ALDH1A1ALPIPKMPTGS1XIAP | |
| SCHEMBL3155213 | 0.85 | ALPI (0.46) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL3335362 | 0.82 | ROCK2 (0.40) | ROCK2MGLLHCAR2ESR1ESR2 | |
| SCHEMBL1668691 | 0.81 | SLC7A5 (0.34) | SLC7A5 | |
| Hydrochloric Acid SCHEMBL3625843 | 0.81 | ROCK2 (0.39) | ROCK2MGLLHCAR2ESR1ESR2 |
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-2202227-A1 | NOVEL HISTIDINE DERIVATIVE | Nippon Zoki Pharmaceutical Co., Ltd. (JP) | 2010-06-30 | — | — | EP | disclosed |