Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| SCHEMBL27775556 | 0.81 | ALDH1A1 (0.45) | TSHRALDH1A1MAPTHTTHPGD | |
| SCHEMBL27794004 | 0.81 | ALDH1A1 (0.39) | ALDH1A1MAPTHTTHPGDMAOB | |
| SCHEMBL27815305 | 0.78 | GLA (0.50) | ALDH1A1MAPTLMNADRD2 | |
| SCHEMBL107143 | 0.75 | ENPP2 (0.59) | ALDH1A1HTR1ASLC6A3ENPP2 | |
| SCHEMBL27815309 | 0.75 | ALDH1A1 (0.39) | TSHRALDH1A1MAPTHTTHPGD | |
| SCHEMBL28785094 | 0.75 | ALDH1A1 (0.38) | ALDH1A1MAPTHTTHPGDMAOB | |
| SCHEMBL27498930 | 0.74 | GRIN2B (0.59) | — | |
| SCHEMBL27815304 | 0.73 | HRH2 (0.36) | ALDH1A1MAPTHTTHPGDMAOB | |
| SCHEMBL27815284 | 0.73 | HRH3 (0.51) | TSHRALDH1A1MAPTHTTHRH3 | |
| SCHEMBL27794008 | 0.72 | KMT2A (0.47) | TSHRALDH1A1MAPTHTTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-101808988-A | Piperidine and piperazine derivatives | MERCK PATENT GMBH | 2010-08-18 | — | — | CN | claimed |