Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 3/20 | 0.41 |
| ▸ | MASP2 | O00187 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | ATP4A | P20648 | 1/20 | 0.37 |
| ▸ | ATP4B | P51164 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.36 |
| ▸ | ULK1 | O75385 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.35 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | MAP3K19 | Q56UN5 | 1/20 | 0.35 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.35 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8818596 | 0.78 | NUDT1 (0.47) | NUDT1MASP2MEN1ALDH1A1KMT2A | |
| SCHEMBL27802835 | 0.77 | MGAM (0.59) | ALDH1A1 | |
| SCHEMBL6694494 | 0.76 | NUDT1 (0.49) | NUDT1MASP2MEN1ALDH1A1KMT2A | |
| SCHEMBL28034117 | 0.74 | HTR3A (0.48) | PIM1 | |
| SCHEMBL1075197 | 0.74 | NUDT1 (0.44) | NUDT1MASP2MEN1ALDH1A1KMT2A | |
| SCHEMBL5071826 | 0.74 | PNP (0.52) | NUDT1MASP2MEN1ALDH1A1KMT2A | |
| SCHEMBL27909761 | 0.70 | NUDT1 (0.46) | NUDT1MASP2MEN1ALDH1A1KMT2A | |
| SCHEMBL28567772 | 0.69 | NQO2 (0.42) | MEN1ALDH1A1KMT2A | |
| SCHEMBL27810285 | 0.69 | MMP2 (0.44) | MEN1ALDH1A1KMT2A | |
| SCHEMBL15553340 | 0.69 | KCNH2 (0.45) | NUDT1 |
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-106414448-B | It can be used as the new compound of S100- inhibitor | 活跃生物技术有限公司 | 2019-04-19 | — | — | CN | disclosed |