Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.30 |
| ▸ | GYS1 | P13807 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16200324 | 0.66 | HCAR2 (0.33) | HCAR2CYP1A2CYP3A4CYP2D6IKBKB | |
| SCHEMBL3223552 | 0.66 | LRRK2 (0.51) | CYP1A2ALOX15MAPK1KMT2A | |
| SCHEMBL16200204 | 0.64 | NPC1 (0.38) | CYP1A2MEN1MAPTCYP2C9MAPK1 | |
| SCHEMBL3464248 | 0.64 | CCR1 (0.52) | HCAR2CYP3A4MEN1MAPK1KMT2A | |
| SCHEMBL3465575 | 0.64 | MAPK1 (0.47) | MAPK1 | |
| SCHEMBL3464003 | 0.64 | MAP2K4 (0.55) | CYP1A2CYP3A4 | |
| SCHEMBL3464623 | 0.64 | MAPK14 (0.41) | — | |
| SCHEMBL16200322 | 0.64 | HCAR2 (0.35) | HCAR2CYP1A2CYP3A4CYP2D6IKBKB | |
| SCHEMBL24119890 | 0.63 | ERBB2 (0.45) | CYP1A2CYP3A4CYP2D6IKBKBMAP3K14 | |
| SCHEMBL16200197 | 0.62 | CYP11B2 (0.38) | MAPTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |