Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 9/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 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 | |
|---|---|---|---|---|
| SCHEMBL13748066 | 0.95 | SLC6A9 (0.43) | SLC6A9KCNH2CYP2D6CYP2C19NPSR1 | |
| SCHEMBL13748637 | 0.94 | SLC6A9 (0.43) | SLC6A9KCNH2CYP2D6CYP2C19NPSR1 | |
| SCHEMBL13748776 | 0.94 | SLC6A9 (0.43) | SLC6A9KCNH2CYP2D6CYP2C19NPSR1 | |
| SCHEMBL13748663 | 0.88 | KDM4E (0.44) | SLC6A9KCNH2KDM4EALDH1A1PRMT5 | |
| SCHEMBL13749074 | 0.88 | SLC6A9 (0.42) | SLC6A9KCNH2CYP2D6CYP2C19NPSR1 | |
| SCHEMBL13748854 | 0.88 | SLC6A9 (0.43) | SLC6A9KCNH2NPSR1CHRM4KDM4E | |
| SCHEMBL4067642 | 0.88 | SLC6A9 (0.43) | SLC6A9KCNH2NPSR1KDM4EALDH1A1 | |
| SCHEMBL13749102 | 0.86 | SLC6A9 (0.43) | SLC6A9KCNH2CHRM4 | |
| SCHEMBL13749138 | 0.85 | SLC6A9 (0.43) | SLC6A9KCNH2CHRM4KDM4EALDH1A1 | |
| SCHEMBL13748690 | 0.84 | SLC6A9 (0.42) | SLC6A9KCNH2CHRM4PRMT5WDR77 |
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 |