Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHUK | O15111 | 3/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | PTGIR | P43119 | 2/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.32 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.32 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL4069716 | 0.71 | CHRNB4 (0.41) | CHUKKDM4CIKBKBGSK3AGSK3B | |
| SCHEMBL352810 | 0.70 | CYP2D6 (0.33) | CHRNB4CHRNA3 | |
| SCHEMBL1221903 | 0.70 | RIPK1 (0.44) | PTGIRRIPK1 | |
| SCHEMBL28151040 | 0.69 | CYP17A1 (0.30) | — | |
| SCHEMBL28196747 | 0.68 | CHRM2 (0.41) | CHUKKDM4CPTGIR | |
| SCHEMBL12471975 | 0.68 | PIK3C3 (0.31) | — | |
| SCHEMBL530190 | 0.68 | CHRNB4 (0.41) | CHUKKDM4CIKBKBGSK3AGSK3B | |
| SCHEMBL4069718 | 0.68 | CHRNB2 (0.48) | CHUKIKBKBGSK3AGSK3BCHRNB4 | |
| SCHEMBL15784059 | 0.68 | CHRNB4 (0.41) | CHUKIKBKBGSK3AGSK3BCHRNB4 | |
| SCHEMBL13723664 | 0.67 | HTR2A (0.43) | PTGIRRIPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106715415-B | 3-amino-1, 5,6, 7-tetrahydro-4H-indol-4-ones | 拜耳制药股份公司 | 2019-06-14 | — | — | CN | disclosed |