Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CTSA | P10619 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.34 |
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 SCHEMBL7171178 | 0.99 | ALDH1A1 (0.40) | ALDH1A1MAPTHTTROCK2ROCK1 | |
| SCHEMBL6671080 | 0.93 | ALDH1A1 (0.39) | ALDH1A1MAPTHTTROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL7176205 | 0.92 | ALDH1A1 (0.38) | ALDH1A1MAPTHTTROCK2ROCK1 | |
| SCHEMBL6670472 | 0.89 | TACR3 (0.43) | MAPTHTTROCK2ROCK1POLB | |
| Hydrochloric Acid SCHEMBL7173923 | 0.88 | TACR3 (0.43) | ROCK2ROCK1POLBMEN1KMT2A | |
| SCHEMBL6668894 | 0.87 | HTT (0.47) | ALDH1A1MAPTHTTROCK1POLB | |
| Hydrochloric Acid SCHEMBL7170943 | 0.86 | HTT (0.46) | ALDH1A1MAPTHTTPOLBCTSA | |
| SCHEMBL18404162 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MAPTHTTPOLBCTSA | |
| SCHEMBL6671291 | 0.83 | TACR3 (0.41) | ALDH1A1MAPTHTTROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL7171223 | 0.82 | TACR3 (0.40) | ALDH1A1MAPTHTTROCK2ROCK1 |
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-1153014-B1 | BETA-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-09-22 | — | — | EP | disclosed |