Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 9/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3476225 | 0.82 | GRM2 (0.47) | RAB9ANPC1POLBMET | |
| SCHEMBL3475915 | 0.79 | DYRK1A (0.35) | DYRK1AADORA2A | |
| SCHEMBL3474766 | 0.78 | GRM2 (0.39) | — | |
| SCHEMBL3469755 | 0.78 | CNR1 (0.37) | RAB9ANPC1CYP1A2CYP3A4MAPT | |
| SCHEMBL7811889 | 0.78 | DYRK1A (0.35) | ARDYRK1AADORA2AADORA1 | |
| SCHEMBL3475817 | 0.77 | GRM2 (0.36) | — | |
| SCHEMBL3475706 | 0.77 | TRPA1 (0.44) | DYRK1A | |
| SCHEMBL3474204 | 0.77 | GRM2 (0.34) | — | |
| SCHEMBL7819300 | 0.76 | GRM2 (0.39) | CYP1A2CYP3A4 | |
| SCHEMBL3474988 | 0.75 | GRM2 (0.35) | — |
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 |