Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 4/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.35 |
| ▸ | KHK | P50053 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 2/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 2/20 | 0.34 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3883516 | 1.00 | MAP3K12 (0.38) | MAP3K12PDPK1TGFBR1AURKBTRPV1 | |
| SCHEMBL3888291 | 1.00 | MAP3K12 (0.38) | MAP3K12PDPK1TGFBR1AURKBTRPV1 | |
| SCHEMBL13761505 | 1.00 | MAP3K12 (0.38) | MAP3K12PDPK1TGFBR1AURKBTRPV1 | |
| SCHEMBL3877264 | 1.00 | MAP3K12 (0.38) | MAP3K12PDPK1TGFBR1AURKBTRPV1 | |
| SCHEMBL3890901 | 1.00 | MAP3K12 (0.38) | MAP3K12PDPK1TGFBR1AURKBTRPV1 | |
| SCHEMBL3878522 | 0.94 | MAP3K12 (0.37) | MAP3K12PDPK1TGFBR1AURKBTRPV1 | |
| SCHEMBL3880819 | 0.94 | DGAT1 (0.37) | MAP3K12PDPK1TGFBR1AURKBTRPV1 | |
| SCHEMBL13761580 | 0.94 | MAP3K12 (0.37) | MAP3K12PDPK1TGFBR1AURKBTRPV1 | |
| SCHEMBL3877401 | 0.94 | MAP3K12 (0.37) | MAP3K12PDPK1TGFBR1AURKBTRPV1 | |
| SCHEMBL3880654 | 0.94 | DGAT1 (0.37) | MAP3K12PDPK1TGFBR1AURKBTRPV1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7566712-B2 | Biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2009-07-28 | — | — | US | disclosed |