Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4720876 | 0.90 | CYP11B1 (0.33) | LRRK2KDM4EGRM7NTRK1ALPL | |
| SCHEMBL4719266 | 0.89 | LRRK2 (0.33) | LRRK2GRM7NTRK1ALPLALPI | |
| SCHEMBL14101738 | 0.89 | LRRK2 (0.33) | LRRK2GRM7NTRK1ALPLALPI | |
| SCHEMBL4722103 | 0.88 | L3MBTL1 (0.35) | CNR1GRM7CNR2ALPLALPI | |
| SCHEMBL4724987 | 0.86 | F10 (0.40) | LRRK2 | |
| SCHEMBL4724951 | 0.84 | NTRK1 (0.32) | LRRK2GRM7NTRK1 | |
| SCHEMBL4721216 | 0.84 | F10 (0.32) | LRRK2ALPLALPI | |
| SCHEMBL4718926 | 0.82 | F10 (0.32) | GRM7 | |
| SCHEMBL4724753 | 0.82 | BRAF (0.33) | BRAFKDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4718899 | 0.81 | CYP11B2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19GRM7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |