Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | ACP3 | P15309 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL11078740 | 0.77 | HTR2A (0.36) | TRPA1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL6504968 | 0.77 | LMNA (0.41) | SLC6A2SLC6A4SLC6A3HTR2ATDP1 | |
| SCHEMBL11246717 | 0.74 | CALM1 (0.38) | TRPA1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL7597521 | 0.74 | SIGMAR1 (0.43) | TRPA1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL29273765 | 0.74 | CALM1 (0.38) | TRPA1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL17429839 | 0.74 | LMNA (0.39) | SLC6A2SLC6A4SLC6A3HTR2ATDP1 | |
| SCHEMBL6913342 | 0.74 | CES2 (0.32) | SLC6A2SLC6A4SLC6A3CES2CES1 | |
| SCHEMBL3912386 | 0.72 | CES2 (0.41) | CES2CES1EPHX1 | |
| SCHEMBL4057742 | 0.72 | CES2 (0.41) | CES2CES1EPHX1 | |
| SCHEMBL900143 | 0.72 | CES2 (0.41) | CES2CES1EPHX1 |
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-2006070292-A2 | PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS | QUEEN'S UNIVERSITY AT KINGSTON (US) | 2006-07-06 | — | — | WO | disclosed |