Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | TGM2 | P21980 | 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 | |
|---|---|---|---|---|
| SCHEMBL319268 | 0.84 | — | — | |
| SCHEMBL13578496 | 0.80 | KMT2A (0.42) | ALDH1A1TSHRTHRATHRB | |
| SCHEMBL11203934 | 0.78 | EPHX1 (0.45) | ALDH1A1TSHR | |
| SCHEMBL15800982 | 0.77 | THRA (0.36) | ALDH1A1TSHRTHRATHRB | |
| SCHEMBL304222 | 0.73 | SLC6A12 (0.45) | ALDH1A1TNKS2PIK3CD | |
| SCHEMBL1966442 | 0.71 | KDM4E (0.40) | TNKS2PIK3CD | |
| SCHEMBL541317 | 0.71 | TNKS2 (0.36) | ALDH1A1TNKS2NAMPTPIK3CD | |
| SCHEMBL1776380 | 0.71 | PIK3CD (0.40) | TNKS2NAMPTPIK3CD | |
| SCHEMBL28888924 | 0.71 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| SCHEMBL16118878 | 0.71 | TNKS2 (0.36) | TNKS2NAMPTPIK3CD |
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-2334657-B1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2013-03-06 | — | — | EP | disclosed |