Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | STK17B | O94768 | 1/20 | 0.34 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24769621 | 0.83 | GAA (0.40) | ATRALDH1A1POLB | |
| SCHEMBL4880397 | 0.80 | CA12 (0.38) | ATRCA12CA1CA2CA9 | |
| SCHEMBL29446126 | 0.77 | CA12 (0.39) | ATRCA12CA1CA2CA9 | |
| SCHEMBL28936309 | 0.76 | ALDH1A1 (0.41) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL23753305 | 0.74 | CA12 (0.41) | ATRCA12CA1CA2CA9 | |
| SCHEMBL23683898 | 0.72 | HCAR3 (0.42) | CNR2 | |
| SCHEMBL11389659 | 0.72 | CA1 (0.50) | ATRCA12CA1CA2CA9 | |
| SCHEMBL18298896 | 0.72 | ATR (0.43) | ATRCA12CA1CA2CA9 | |
| SCHEMBL991875 | 0.72 | GABRG2 (0.42) | ALDH1A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL30726361 | 0.72 | ATR (0.43) | ATRCA12CA1CA2CA9 |
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-114213396-B | Indole-2-ketone compound and preparation method and application thereof | 深圳市乐土生物医药有限公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-114213396-A | Indole-2-ketone compound and preparation method and application thereof | 深圳市乐土生物医药有限公司 | 2022-03-22 | — | — | CN | disclosed |