Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28121203 | 0.88 | CYP2C19 (0.49) | CYP2C19HTTGAAMAPTSMN1; SMN2 | |
| SCHEMBL28067210 | 0.87 | LMNA (0.41) | HTTGAAMAPTSMN1; SMN2LMNA | |
| Acetic Acid Methyl Ester SCHEMBL23070551 | 0.85 | CYP2C19 (0.53) | CYP2C19HTTGAAMAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL23070491 | 0.81 | CYP2C19 (0.61) | CYP2C19HTTGAAMAPTSMN1; SMN2 | |
| Acetone SCHEMBL27517311 | 0.81 | CYP2C19 (0.61) | CYP2C19HTTGAAMAPTSMN1; SMN2 | |
| Benzenemethanethiol SCHEMBL28107474 | 0.81 | IDO1 (0.50) | MAPTALDH1A1HPGDRAB9ACYP3A4 | |
| Acetic Acid SCHEMBL27729678 | 0.78 | IDO1 (0.53) | CYP2C19GAAMAPTSMN1; SMN2LMNA | |
| SCHEMBL28063242 | 0.78 | LMNA (0.46) | CYP2C19HTTGAAMAPTSMN1; SMN2 | |
| Urea SCHEMBL27623582 | 0.77 | CYP2C19 (0.61) | CYP2C19SMN1; SMN2LMNAALDH1A1HPGD | |
| Carbamic Acid SCHEMBL28267319 | 0.77 | CYP2C19 (0.61) | CYP2C19SMN1; SMN2LMNAALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109640971-A | β -aminoisoquinolinylamide compounds | 爱瑞制药公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-105722835-A | 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use | 癌症研究协会:皇家癌症医院 | 2016-06-29 | — | — | CN | disclosed |