Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | EDNRA | P25101 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 3/20 | 0.38 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.37 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3588372 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHRNPSR1EDNRAGAA | |
| SCHEMBL6674552 | 0.82 | ATM (0.39) | ALDH1A1TSHRNPSR1GAAMAPT | |
| SCHEMBL15597452 | 0.82 | MAPT (0.36) | ALDH1A1GAAMAPTEGFRTDP1 | |
| SCHEMBL19675189 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TSHRMAPTIDO1TDO2 | |
| SCHEMBL20594416 | 0.72 | TSHR (0.50) | ALDH1A1TSHRNPSR1EDNRAGAA | |
| SCHEMBL1325110 | 0.72 | TSHR (0.48) | ALDH1A1TSHRNPSR1EDNRAEGFR | |
| SCHEMBL6979173 | 0.71 | TSHR (0.57) | ALDH1A1TSHRNPSR1EDNRAGAA | |
| SCHEMBL16560785 | 0.71 | NAPRT (0.37) | ALDH1A1TSHRNPSR1MAPTTDP1 | |
| SCHEMBL13347979 | 0.69 | HDAC3 (0.36) | ALDH1A1EGFRHSPA1APTPN7TDP1 | |
| SCHEMBL8186603 | 0.69 | HDAC3 (0.36) | ALDH1A1EGFRHSPA1APTPN7TDP1 |
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-2008024981-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | SERENEX, INC. (US) | 2008-02-28 | — | — | WO | disclosed |