Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 9/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13748776 | 1.00 | SLC6A9 (0.43) | SLC6A9CYP2D6CYP2C19NPSR1KDM4E | |
| SCHEMBL13748066 | 0.99 | SLC6A9 (0.43) | SLC6A9CYP2D6CYP2C19NPSR1KDM4E | |
| SCHEMBL13748544 | 0.94 | SLC6A9 (0.42) | SLC6A9CYP2D6CYP2C19NPSR1KDM4E | |
| SCHEMBL13748663 | 0.92 | KDM4E (0.44) | SLC6A9KDM4EALDH1A1KCNH2IRAK4 | |
| SCHEMBL13749074 | 0.92 | SLC6A9 (0.42) | SLC6A9CYP2D6CYP2C19NPSR1KDM4E | |
| SCHEMBL4067642 | 0.92 | SLC6A9 (0.43) | SLC6A9NPSR1KDM4EALDH1A1KCNH2 | |
| SCHEMBL13748854 | 0.92 | SLC6A9 (0.43) | SLC6A9NPSR1KDM4EALDH1A1KCNH2 | |
| SCHEMBL13748980 | 0.87 | SLC6A9 (0.41) | SLC6A9KDM4EALDH1A1TSHRMAPT | |
| SCHEMBL13748801 | 0.86 | SLC6A9 (0.41) | SLC6A9KDM4EALDH1A1TSHRMAPT | |
| SCHEMBL13748936 | 0.85 | SLC6A9 (0.40) | SLC6A9KCNH2 |
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-2009100120-A2 | PYRIDINYL-SUBSTITUTED PIPERAZINYL OXOETHYL TETRAHYDROPYRAZOLOPYRIDINES | NEUROGEN CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |