Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 14/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL7819934 | 0.78 | GRM2 (0.53) | GRM2TDO2 | |
| SCHEMBL3476386 | 0.76 | GRM2 (0.48) | GRM2TDO2 | |
| SCHEMBL3475163 | 0.73 | GRM2 (0.65) | GRM2TDO2 | |
| SCHEMBL3475674 | 0.72 | GRM2 (0.51) | GRM2TDO2 | |
| Trifluoroacetic Acid SCHEMBL3476353 | 0.71 | GRM2 (0.45) | GRM2 | |
| SCHEMBL3475311 | 0.70 | GRM2 (0.52) | GRM2TDO2 | |
| SCHEMBL9604229 | 0.70 | GRM2 (0.61) | GRM2TDO2 | |
| SCHEMBL8511570 | 0.70 | GRM2 (0.61) | GRM2TDO2 | |
| SCHEMBL3801758 | 0.70 | GRM2 (0.61) | GRM2TDO2 | |
| SCHEMBL8511014 | 0.70 | GRM2 (0.61) | GRM2TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010141360-A1 | BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | claimed |
| WO-2010141360-A1 | BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | disclosed |
| WO-2010141360-A1 | BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | disclosed |