Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28984977 | 0.73 | KMT2A (0.43) | KMT2AMAP2K2MAP2K1ALDH1A1POLB | |
| Methane SCHEMBL27525670 | 0.71 | SERPINE1 (0.40) | KMT2AALDH1A1POLBRXFP1 | |
| SCHEMBL27803174 | 0.70 | CNR1 (0.40) | KMT2AALDH1A1 | |
| SCHEMBL27683832 | 0.67 | ATM (0.42) | — | |
| SCHEMBL30512973 | 0.66 | ALDH1A1 (0.43) | KMT2AKRASALDH1A1POLBRXFP1 | |
| SCHEMBL25408956 | 0.64 | ALDH1A1 (0.38) | KMT2AALDH1A1POLBRXFP1 | |
| SCHEMBL3050471 | 0.63 | PRPS1 (0.47) | KRASALDH1A1POLBRXFP1NPC1 | |
| SCHEMBL11179751 | 0.63 | KMT2A (0.52) | KMT2AALDH1A1POLBRXFP1 | |
| SCHEMBL16344098 | 0.61 | KAT2B (0.49) | KMT2AALDH1A1POLBNPC1 | |
| SCHEMBL10236175 | 0.61 | ALDH1A1 (0.43) | KMT2AALDH1A1POLBRXFP1NPC1 |
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-112442169-B | Asymmetric isoindigo receptor and polymer, and preparation method and application thereof | 中国科学院化学研究所 | 2022-05-17 | — | — | CN | disclosed |
| CN-112442169-A | Asymmetric isoindigo receptor and polymer, and preparation method and application thereof | 中国科学院化学研究所 | 2021-03-05 | — | — | CN | disclosed |