Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17907974 | 0.91 | NOS3 (0.41) | NOS3NOS1NOS2GRIN2BCNR1 | |
| SCHEMBL17907987 | 0.88 | GRIN2B (0.41) | GRIN2BPTGDR2MEN1KMT2ACYP2D6 | |
| SCHEMBL17907982 | 0.87 | GRIN2B (0.44) | GRIN2BPTGDR2CYP2D6CHRM1HRH1 | |
| SCHEMBL17907957 | 0.87 | CYP2D6 (0.42) | GRIN2BPTGDR2KMT2ACYP2D6CHRM1 | |
| SCHEMBL17907952 | 0.85 | ALDH1A1 (0.41) | GRIN2BPTGDR2KDM4EKMT2AHTR2A | |
| SCHEMBL17907919 | 0.81 | PTGDR2 (0.41) | GRIN2BPTGDR2 | |
| SCHEMBL17907929 | 0.80 | CYP2D6 (0.42) | GRIN2BPTGDR2KMT2ACYP2D6CHRM1 | |
| SCHEMBL17907936 | 0.78 | GRIN2B (0.39) | GRIN2BPTGDR2CYP2D6CHRM1HRH1 | |
| SCHEMBL17907942 | 0.75 | BCHE (0.49) | GRIN2BMEN1KMT2A | |
| SCHEMBL17907959 | 0.71 | PTGDR2 (0.56) | PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2697223-B1 | 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-07-13 | — | — | EP | disclosed |