Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6837469 | 0.89 | GRM4 (0.40) | ACHEGRM4LMNAALDH1A1MAPT | |
| SCHEMBL368225 | 0.83 | ACHE (0.37) | ACHEGRM4LMNACYP2C9ALDH1A1 | |
| SCHEMBL6837300 | 0.81 | GRM4 (0.40) | ACHEGRM4LMNACYP2C9ALDH1A1 | |
| SCHEMBL366145 | 0.81 | ACHE (0.36) | ACHEGRM4MAPTSMN1; SMN2AADAT | |
| SCHEMBL15303272 | 0.81 | GRM4 (0.37) | ACHEGRM4LMNACYP2C9ALDH1A1 | |
| SCHEMBL16242838 | 0.81 | SMN1; SMN2 (0.35) | ACHEALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL366988 | 0.80 | ACHE (0.34) | ACHEGRM4IGF1R | |
| SCHEMBL15302907 | 0.80 | ACHE (0.37) | ACHEGRM4AADAT | |
| SCHEMBL16242725 | 0.80 | CACNA2D1 (0.34) | ACHEGRM4IGF1R | |
| SCHEMBL6837211 | 0.79 | ADORA1 (0.42) | LMNAALDH1A1MAPTNPC1RAB9A |
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-2012008999-A2 | TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |
| WO-2012006760-A1 | TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |