Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | GALR2 | O43603 | 4/20 | 0.61 |
| ▸ | GALR1 | P47211 | 4/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3876770 | 1.00 | KDM4E (0.61) | KDM4ETDP1GALR2GALR1HSD17B10 | |
| SCHEMBL3878776 | 0.91 | CYP1A2 (0.64) | KDM4ETDP1GALR2GALR1HSD17B10 | |
| SCHEMBL3878577 | 0.90 | GALR2 (0.54) | KDM4ETDP1GALR2GALR1L3MBTL1 | |
| SCHEMBL3888902 | 0.89 | PIK3CA (0.50) | KDM4ETDP1GALR2GALR1L3MBTL1 | |
| SCHEMBL3879827 | 0.89 | PIK3CA (0.50) | KDM4ETDP1GALR2GALR1L3MBTL1 | |
| SCHEMBL13761268 | 0.89 | TRPV1 (0.56) | TDP1L3MBTL1HSD11B1PIK3R1PIK3CA | |
| SCHEMBL3881496 | 0.89 | NPSR1 (0.58) | KDM4ETDP1GALR2GALR1HSD17B10 | |
| SCHEMBL3877892 | 0.89 | NPSR1 (0.58) | KDM4ETDP1GALR2GALR1HSD17B10 | |
| SCHEMBL3883524 | 0.89 | GALR2 (0.50) | KDM4ETDP1GALR2GALR1HSD17B10 | |
| SCHEMBL3880030 | 0.88 | TRPV1 (0.50) | TDP1GALR2GALR1L3MBTL1HSD11B1 |
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 |