Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 13/20 | 0.43 |
| ▸ | TP53 | P04637 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP2 | O95551 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL369101 | 0.86 | MAPT (0.47) | MAPTTP53SMN1; SMN2DYRK1AALDH1A1 | |
| SCHEMBL366960 | 0.83 | MAPT (0.44) | MAPTTP53SMN1; SMN2DYRK1AALDH1A1 | |
| SCHEMBL369640 | 0.79 | KDM4E (0.49) | MAPTALDH1A1KDM4E | |
| SCHEMBL370071 | 0.77 | GRM4 (0.44) | MAPTTP53SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL367243 | 0.69 | RXFP1 (0.32) | ALDH1A1KDM4ECYP3A4RXFP1 | |
| SCHEMBL370469 | 0.68 | ACHE (0.41) | MAPTTP53SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL15261475 | 0.68 | RXFP1 (0.42) | MAPTTP53SMN1; SMN2DYRK1AALDH1A1 | |
| SCHEMBL15261239 | 0.68 | MAPT (0.40) | MAPTTP53SMN1; SMN2DYRK1AALDH1A1 | |
| SCHEMBL15261025 | 0.67 | ACHE (0.40) | MAPTALDH1A1HPGDKDM4ERXFP1 | |
| SCHEMBL15261246 | 0.66 | MAPT (0.39) | MAPTTP53SMN1; SMN2DYRK1AALDH1A1 |
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-2012006760-A1 | TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |