Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 7/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6837300 | 0.92 | GRM4 (0.40) | GRM4LMNATHRBKCNH2CFTR | |
| SCHEMBL6837141 | 0.89 | ACHE (0.35) | GRM4LMNATHRBKCNH2ACHE | |
| SCHEMBL368225 | 0.87 | ACHE (0.37) | GRM4LMNAACHESMN1; SMN2ALDH1A1 | |
| SCHEMBL15303272 | 0.85 | GRM4 (0.37) | GRM4LMNAKCNH2ACHESMN1; SMN2 | |
| SCHEMBL367983 | 0.85 | GRM4 (0.49) | GRM4LMNATHRBKCNH2CFTR | |
| SCHEMBL366145 | 0.83 | ACHE (0.36) | GRM4THRBKCNH2ACHESMN1; SMN2 | |
| SCHEMBL15302907 | 0.83 | ACHE (0.37) | GRM4ACHE | |
| SCHEMBL366988 | 0.83 | ACHE (0.34) | GRM4ACHE | |
| SCHEMBL16242725 | 0.82 | CACNA2D1 (0.34) | GRM4ACHE | |
| SCHEMBL368018 | 0.81 | GRM4 (0.35) | GRM4KCNH2ACHESMN1; SMN2BCHE |
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 |