Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12656175 | 0.83 | CYP3A4 (0.42) | ALDH1A1MAPTKDM4EHTTKMT2A | |
| Hydrochloric Acid SCHEMBL11323929 | 0.83 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4EGAAMAPK1 | |
| SCHEMBL4667661 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPTKMT2AMEN1TSHR | |
| SCHEMBL22828119 | 0.81 | S1PR1 (0.40) | FPR2SCN9AS1PR1 | |
| SCHEMBL3825190 | 0.76 | CACNA1H (0.44) | TAAR1S1PR1 | |
| SCHEMBL2186158 | 0.76 | MAOB (0.61) | SCN9AMAOAMAOB | |
| SCHEMBL13181093 | 0.76 | TAAR1 (0.50) | ALDH1A1MAPTKDM4EGAATHRB | |
| SCHEMBL2185724 | 0.75 | SCN9A (0.57) | SCN9AMAOB | |
| SCHEMBL22688174 | 0.73 | ESRRG (0.43) | ALDH1A1MAPTKDM4EGAATHRB | |
| SCHEMBL12247771 | 0.72 | PARP1 (0.44) | ALDH1A1GAATSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1817275-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering Aktiengesellschaft (DE) | 2007-08-15 | — | — | EP | disclosed |
| EP-1799645-A2 | PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006060494-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-06-08 | — | — | WO | disclosed |
| WO-2006034004-A2 | PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-03-30 | — | — | WO | disclosed |