Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.32 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.32 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.32 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.32 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.32 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1949391 | 0.83 | HTR7 (0.35) | HTR1AHTR7DHODHGRIN1GRIN2B | |
| SCHEMBL1855937 | 0.71 | BACE1 (0.39) | HTR1AGRIN1GRIN2BDRD2DGAT2 | |
| SCHEMBL1949510 | 0.69 | BACE1 (0.41) | GRIN1GRIN2BS1PR5ASIC3 | |
| SCHEMBL1950808 | 0.68 | ASIC3 (0.39) | GRIN1GRIN2BS1PR5ASIC3 | |
| SCHEMBL2812633 | 0.66 | BACE1 (0.42) | GRIN1GRIN2BS1PR5 | |
| SCHEMBL1951405 | 0.63 | PARP10 (0.43) | GRIN1GRIN2BS1PR5ASIC3 | |
| SCHEMBL3020986 | 0.63 | PGR (0.55) | — | |
| SCHEMBL17840165 | 0.61 | RORC (0.57) | HTR1AHTR7 | |
| SCHEMBL11435160 | 0.59 | KCNH2 (0.41) | HTR1AHTR7AKR1C3AKR1C2PRMT3 | |
| SCHEMBL5112651 | 0.59 | AKR1C3 (0.51) | HTR1AHTR7AKR1C3AKR1C2 |
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-2323482-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2011-05-25 | — | — | EP | disclosed |