Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | FASN | P49327 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7425206 | 0.99 | ADORA1 (0.35) | ALDH1A1GAAHPGDKMT2APDCD1 | |
| Hydrochloric Acid SCHEMBL7068276 | 0.88 | ADORA1 (0.35) | ALDH1A1GAAHPGDKMT2AADORA1 | |
| SCHEMBL21388656 | 0.82 | ALDH1A1 (0.41) | ALDH1A1HPGDPDCD1CD274 | |
| SCHEMBL18238079 | 0.75 | PDCD1 (0.40) | PDCD1CD274 | |
| SCHEMBL20837065 | 0.67 | HRH4 (0.39) | ALDH1A1GAAHPGDKMT2ATSHR | |
| SCHEMBL10856150 | 0.66 | ALDH1A1 (0.40) | ALDH1A1GAAHPGDKMT2ATSHR | |
| SCHEMBL23642016 | 0.66 | PDCD1 (0.40) | PDCD1CD274ADORA1 | |
| SCHEMBL31680213 | 0.63 | SLC6A2 (0.41) | ALDH1A1GAASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17380238 | 0.63 | KDM4E (0.49) | ALDH1A1GAAHPGDKMT2ATSHR | |
| SCHEMBL7485295 | 0.63 | ALDH1A1 (0.70) | ALDH1A1GAAHPGDKMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000020400-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS | AXYS PHARMACEUTICALS, INC. (US) | 2000-04-13 | — | — | WO | disclosed |