Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL16616945 | 1.00 | CYP3A4 (0.36) | CYP3A4HTTSMN1; SMN2ABL1HTR2C | |
| SCHEMBL31328595 | 0.84 | SIGMAR1 (0.33) | CYP3A4HTTSMN1; SMN2ABL1SLC6A4 | |
| SCHEMBL31328725 | 0.81 | CYP3A4 (0.31) | CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL31328726 | 0.81 | CYP3A4 (0.31) | CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL31421215 | 0.80 | BACE1 (0.32) | ABL1 | |
| SCHEMBL31328572 | 0.78 | — | — | |
| SCHEMBL31328570 | 0.77 | — | — | |
| SCHEMBL28491743 | 0.77 | ABL1 (0.38) | CYP3A4HTTSMN1; SMN2ABL1SMYD2 | |
| SCHEMBL29359030 | 0.77 | CYP3A4 (0.37) | CYP3A4HTTSMN1; SMN2ABL1SMYD2 | |
| SCHEMBL30558133 | 0.75 | ABL1 (0.36) | CYP3A4HTTSMN1; SMN2ABL1SMYD2 |
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-2822656-B1 | 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE | CANCER RES INST ROYAL (GB) | 2016-10-19 | — | — | EP | disclosed |