Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 5/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 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 | |
|---|---|---|---|---|
| SCHEMBL21678636 | 1.00 | DGAT1 (0.38) | DGAT1NPSR1ALDH1A1MAPTKLKB1 | |
| SCHEMBL31070094 | 0.96 | TP53 (0.38) | DGAT1MAPTKLKB1TP53P2RX7 | |
| SCHEMBL21678521 | 0.96 | TP53 (0.38) | DGAT1MAPTKLKB1TP53P2RX7 | |
| SCHEMBL21701279 | 0.87 | NPSR1 (0.33) | NPSR1ALDH1A1MAPTADKTP53 | |
| SCHEMBL2240537 | 0.86 | DGAT1 (0.38) | DGAT1ALDH1A1MAPTKLKB1ADK | |
| SCHEMBL30668697 | 0.86 | NPC1 (0.39) | DGAT1MAPTKLKB1ADKP2RX7 | |
| SCHEMBL20744082 | 0.86 | NPC1 (0.39) | DGAT1MAPTKLKB1ADKP2RX7 | |
| SCHEMBL21678727 | 0.84 | ADK (0.37) | DGAT1NPSR1ALDH1A1MAPTKLKB1 | |
| SCHEMBL21678363 | 0.83 | DGAT1 (0.33) | DGAT1MAPTKLKB1P2RX7 | |
| SCHEMBL16051210 | 0.82 | DGAT1 (0.38) | DGAT1NPSR1ALDH1A1 |
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-119080779-A | Pyrrolopyrimidine ITK inhibitors | 阿克拉瑞斯治疗股份有限公司 | 2024-12-06 | — | — | CN | disclosed |
| CN-112823005-B | Pyrrolopyrimidine ITK inhibitors | 阿克拉瑞斯治疗股份有限公司 | 2024-08-20 | — | — | CN | disclosed |