Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.33 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3474766 | 0.86 | GRM2 (0.39) | CNR2GRM2 | |
| SCHEMBL3476138 | 0.83 | GRM2 (0.38) | GRM2SLC22A12 | |
| SCHEMBL3477056 | 0.81 | CYP17A1 (0.39) | GRM2CYP3A4CYP2A6CYP2E1CYP2D6 | |
| SCHEMBL3474988 | 0.81 | GRM2 (0.35) | GRM2 | |
| SCHEMBL7810660 | 0.80 | GRM2 (0.39) | GRM2KDM4EHSD17B10 | |
| SCHEMBL7819934 | 0.80 | GRM2 (0.53) | GRM2 | |
| SCHEMBL7808336 | 0.80 | CYP11B1 (0.39) | GRM2SLC22A12CYP3A4CYP11B1CYP2C9 | |
| SCHEMBL3475397 | 0.79 | GRM2 (0.36) | GRM2 | |
| SCHEMBL7816241 | 0.79 | GRM2 (0.40) | GRM2SLC22A12CYP2A6 | |
| SCHEMBL7819300 | 0.79 | GRM2 (0.39) | CNR1CNR2GRM2CYP3A4KDM4E |
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 |