Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.37 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17907919 | 0.88 | PTGDR2 (0.41) | GRIN2BPTGDR2 | |
| SCHEMBL17907987 | 0.86 | GRIN2B (0.41) | KMT2AGRIN2BMAPTPTGDR2 | |
| SCHEMBL17907982 | 0.85 | GRIN2B (0.44) | HTR2AHTR2CGRIN2BPTGDR2SLC6A4 | |
| SCHEMBL17908006 | 0.85 | NOS3 (0.41) | HTR2AHTR2CKMT2AGRIN2BKDM4E | |
| SCHEMBL17907957 | 0.85 | CYP2D6 (0.42) | KMT2AGRIN2BPTGDR2 | |
| SCHEMBL17907929 | 0.78 | CYP2D6 (0.42) | KMT2AGRIN2BPTGDR2 | |
| SCHEMBL17907974 | 0.78 | NOS3 (0.41) | HTR2AHTR2CGRIN2BPTGDR2SLC6A4 | |
| SCHEMBL17908001 | 0.77 | MAOA (0.47) | ALDH1A1HTR2AHTR2CMAOAMAOB | |
| SCHEMBL17907936 | 0.77 | GRIN2B (0.39) | GRIN2BHTR6PTGDR2 | |
| SCHEMBL17907970 | 0.73 | PTGDR2 (0.49) | ALDH1A1KMT2AHTR6POLBPTGDR2 |
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 |