Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.48 |
| ▸ | AGXT | P21549 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28199225 | 0.93 | ADRA2C (0.46) | ADRA2CHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5610645 | 0.86 | PRMT6 (0.45) | ADRA2CHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3584889 | 0.86 | ADRA2C (0.61) | ADRA2CHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28090296 | 0.85 | PRMT6 (0.47) | ADRA2CHDAC4ABCB1AGXTALDH1A1 | |
| SCHEMBL23916588 | 0.83 | ADRA2C (0.61) | ADRA2CHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL14261396 | 0.82 | MAPT (0.50) | HDAC4ABCB1AGXTALDH1A1MAPT | |
| SCHEMBL29442412 | 0.81 | ALDH1A1 (0.64) | ADRA2CHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1444185 | 0.81 | ALDH1A1 (0.64) | ADRA2CHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28201788 | 0.77 | MAPT (0.54) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL1559226 | 0.75 | ADRA2C (0.65) | ADRA2CHDAC3HDAC4HDAC1HDAC7 |
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-3448386-B1 | ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF | SAMUMED LLC (US) | 2021-03-03 | — | — | EP | disclosed |