Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 8/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAP3K12 | Q12852 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3876588 | 1.00 | TRPV1 (0.36) | TRPV1KCNH2MAP3K12KDM4EALDH1A1 | |
| SCHEMBL3880508 | 0.94 | MALT1 (0.38) | TRPV1MAP3K12KDM4EALDH1A1HSD17B10 | |
| SCHEMBL3880822 | 0.94 | MALT1 (0.38) | TRPV1MAP3K12KDM4EALDH1A1HSD17B10 | |
| SCHEMBL3885507 | 0.94 | DGAT1 (0.38) | TRPV1MAP3K12KDM4EALDH1A1HSD17B10 | |
| SCHEMBL3884941 | 0.94 | TRPV1 (0.36) | TRPV1MAP3K12KDM4EALDH1A1HSD17B10 | |
| SCHEMBL3877815 | 0.93 | MTOR (0.40) | MAP3K12KDM4EHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL13761564 | 0.93 | MTOR (0.40) | MAP3K12KDM4EHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL3876784 | 0.93 | TRPV1 (0.38) | TRPV1MAP3K12KDM4EALDH1A1HSD17B10 | |
| SCHEMBL3881049 | 0.93 | MTOR (0.40) | MAP3K12KDM4EHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL3991603 | 0.92 | HSD17B10 (0.43) | TRPV1MAP3K12KDM4EALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7566712-B2 | Biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2009-07-28 | — | — | US | disclosed |
| US-7566712-B2 | Biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2009-07-28 | — | — | US | disclosed |
| US-7566712-B2 | Biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2009-07-28 | — | — | US | disclosed |