Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | PYGL | P06737 | 3/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30527645 | 0.86 | BLM (0.41) | HCAR2CYP3A4TSHRMKNK1MKNK2 | |
| SCHEMBL25261700 | 0.86 | BLM (0.41) | HCAR2CYP3A4TSHRMKNK1MKNK2 | |
| SCHEMBL20832851 | 0.86 | HCAR2 (0.38) | HCAR2GRIN1GRIN2BP2RX7CHRNB2 | |
| SCHEMBL20832745 | 0.86 | HCAR2 (0.38) | HCAR2GRIN1GRIN2BP2RX7CHRNB2 | |
| SCHEMBL20832746 | 0.84 | LMNA (0.41) | HCAR2GRIN1GRIN2BP2RX7TRPV3 | |
| SCHEMBL19895723 | 0.80 | HCAR2 (0.34) | HCAR2GRIN1GRIN2BP2RX7CHRNB2 | |
| SCHEMBL20292644 | 0.77 | GAA (0.35) | HCAR2GRIN1GRIN2BCYP3A4ADORA3 | |
| SCHEMBL25308368 | 0.77 | ALDH1A1 (0.46) | HCAR2TSHRP2RX7MKNK1MKNK2 | |
| SCHEMBL31250294 | 0.77 | ALDH1A1 (0.46) | HCAR2TSHRP2RX7MKNK1MKNK2 | |
| SCHEMBL16491297 | 0.77 | CYP11B2 (0.41) | HCAR2TRPV3CHRNB2CHRNA4MKNK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1175416-A1 | HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2002-01-30 | — | — | EP | disclosed |
| WO-2000064885-A1 | HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2000-11-02 | — | — | WO | disclosed |