Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TYMP | P19971 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | STK4 | Q13043 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13184154 | 0.83 | HTT (0.51) | CYP2C9TYMPHTTCYP1A2CYP2D6 | |
| SCHEMBL16200327 | 0.76 | HTT (0.39) | LRRK2CYP2C9HTTCYP1A2CYP2D6 | |
| SCHEMBL10488586 | 0.73 | LRRK2 (0.47) | LRRK2CYP2C9NPSR1LMNAMAPT | |
| SCHEMBL20154109 | 0.69 | NPSR1 (0.49) | NPSR1GAALMNAMAPTPOLB | |
| SCHEMBL10518574 | 0.68 | PDE4D (0.55) | LRRK2GAAMAPTPOLBALDH1A1 | |
| SCHEMBL11227707 | 0.67 | NUDT1 (0.49) | NPSR1GAALMNAPOLBALDH1A1 | |
| SCHEMBL9762223 | 0.66 | ALDH1A1 (0.46) | LRRK2CYP2C9NPSR1LMNAMAPT | |
| SCHEMBL21921211 | 0.66 | LRRK2 (0.52) | LRRK2CYP2C9NPSR1LMNACYP1A2 | |
| SCHEMBL15186307 | 0.66 | LRRK2 (0.45) | LRRK2CYP2C9GAALMNAMAPT | |
| SCHEMBL14822948 | 0.66 | KMT2A (0.49) | LRRK2NPSR1GAAHTTCYP2C19 |
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 |