Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPI | P34949 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL787519 | 0.81 | CYP1A2 (0.63) | MPICYP1A2CYP2C9HRH3CYP2D6 | |
| SCHEMBL2371334 | 0.78 | MPI (0.56) | MPICYP1A2CYP2C9HRH3CYP2D6 | |
| SCHEMBL804302 | 0.78 | MPI (0.65) | MPICYP1A2CYP2C9HRH3 | |
| SCHEMBL804655 | 0.77 | CYP2C9 (0.76) | MPICYP1A2CYP2C9FFAR1 | |
| SCHEMBL787371 | 0.76 | CYP1A2 (0.64) | MPICYP1A2CYP2C9 | |
| SCHEMBL787130 | 0.75 | MPI (1.00) | MPICYP1A2CYP2C9HRH3 | |
| SCHEMBL804299 | 0.75 | MPI (0.67) | MPICYP1A2CYP2C9 | |
| SCHEMBL804275 | 0.74 | CYP2C9 (0.62) | MPICYP1A2CYP2C9HRH3CYP2D6 | |
| SCHEMBL805879 | 0.73 | CYP1A2 (0.58) | MPICYP1A2CYP2C9HRH3 | |
| SCHEMBL804731 | 0.73 | CYP2C9 (0.75) | MPICYP1A2CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011116356-A2 | POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2011-09-22 | — | — | WO | disclosed |