Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL23048789 | 0.80 | MAP3K5 (0.46) | MAP3K5AKT1 | |
| SCHEMBL23865352 | 0.76 | HCRTR1 (0.30) | — | |
| SCHEMBL23048746 | 0.76 | MAP3K5 (0.31) | MAP3K5 | |
| SCHEMBL23865458 | 0.73 | MAP3K5 (0.36) | MAP3K5 | |
| SCHEMBL23048780 | 0.72 | KDM1A (0.37) | — | |
| SCHEMBL29173497 | 0.65 | ALDH1A1 (0.50) | RAB9ASMN1; SMN2HTTKDM4EMEN1 | |
| SCHEMBL29789861 | 0.65 | LGMN (0.50) | RAB9ASMN1; SMN2HTTKDM4EMEN1 | |
| SCHEMBL20605957 | 0.65 | LGMN (0.50) | RAB9ASMN1; SMN2HTTKDM4EMEN1 | |
| SCHEMBL21155474 | 0.65 | — | — | |
| SCHEMBL14688044 | 0.65 | KDM4E (0.41) | RAB9ASMN1; SMN2IRAK4HTTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3572401-B1 | ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF | FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) | 2021-09-29 | — | — | EP | disclosed |
| EP-3572412-B1 | PYRIDINE DERIVATIVE AS ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF | FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) | 2021-03-03 | — | — | EP | disclosed |