Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6837341 | 0.87 | GRM4 (0.41) | ACHECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL365717 | 0.82 | GRM4 (0.39) | ACHECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL368608 | 0.80 | ADORA1 (0.40) | ACHEAADATKDM4E | |
| SCHEMBL369588 | 0.78 | GRM4 (0.40) | ACHECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL370400 | 0.77 | GRM4 (0.39) | ACHECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL370436 | 0.76 | GRM4 (0.39) | ACHECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15182505 | 0.75 | CYP1A2 (0.37) | ACHECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL370384 | 0.75 | GRM4 (0.43) | ACHECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6837269 | 0.73 | GRM4 (0.37) | ACHECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6837309 | 0.73 | GRM4 (0.36) | ACHECYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012006760-A1 | TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |
| WO-2012008999-A2 | TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |