Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 6/20 | 0.44 |
| ▸ | WNT3A | P56704 | 6/20 | 0.44 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | C1S | P09871 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5084680 | 0.91 | KMT2A (0.64) | TPMTKMT2AHCAR1HPGDMEN1 | |
| SCHEMBL5570090 | 0.88 | HSD17B3 (0.52) | TPMTKMT2AHCAR1HPGDALDH1A1 | |
| SCHEMBL14139168 | 0.86 | TPMT (0.48) | TPMTKMT2ACTNNB1WNT3AHCAR1 | |
| SCHEMBL13812080 | 0.86 | TPMT (0.48) | TPMTKMT2ACTNNB1WNT3AHCAR1 | |
| SCHEMBL13812156 | 0.84 | TPMT (0.46) | TPMTKMT2AHCAR1HPGDALDH1A1 | |
| SCHEMBL11974562 | 0.84 | TPMT (0.56) | TPMTKMT2AHCAR1PRSS1PRSS2 | |
| SCHEMBL4315127 | 0.84 | ALDH1A1 (0.45) | TPMTKMT2ACTNNB1WNT3AHPGD | |
| SCHEMBL5084687 | 0.83 | HDAC3 (0.55) | TPMTKMT2AGAA | |
| SCHEMBL6984707 | 0.83 | TPMT (0.45) | TPMTKMT2AHCAR1THRB | |
| SCHEMBL5567306 | 0.83 | HSD17B3 (0.56) | THRB |
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-115403459-B | Preparation method of 1, 4-dicarbonyl compound | 广州自远生物科技有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-115403459-A | Preparation method of 1, 4-dicarbonyl compound | 广州自远生物科技有限公司 | 2022-11-29 | — | — | CN | disclosed |