Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 5/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 4/20 | 0.37 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.34 |
| ▸ | AKT1 | P31749 | 5/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL908447 | 0.90 | CHRNB1 (0.36) | MAP3K12CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3877165 | 0.89 | SLC9A1 (0.41) | MAP3K12CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL907825 | 0.86 | ACACB (0.42) | MAP3K12CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL907705 | 0.85 | SLC9A1 (0.36) | MAP3K12SLC9A1S1PR1 | |
| SCHEMBL908196 | 0.85 | MAP3K12 (0.40) | MAP3K12SLC9A1RPS6KB1AKT1 | |
| SCHEMBL908028 | 0.82 | HRH4 (0.36) | MAP3K12SLC9A1S1PR1 | |
| SCHEMBL3875754 | 0.82 | TRPV1 (0.37) | MAP3K12SLC9A1 | |
| SCHEMBL3877628 | 0.81 | SLC9A1 (0.41) | SLC9A1ACACB | |
| SCHEMBL3876074 | 0.81 | SCN9A (0.37) | MAP3K12SLC9A1AXL | |
| SCHEMBL908517 | 0.80 | MAP3K12 (0.37) | MAP3K12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1786800-A4 | SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORP (US) | 2009-05-06 | — | — | EP | claimed |
| EP-1786800-A2 | SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2007-05-23 | — | — | EP | claimed |
| WO-2006026135-A2 | SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2006-03-09 | — | — | WO | claimed |