Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | RAPGEF4 | Q8WZA2 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9441652 | 0.82 | LMNA (0.40) | HPGDALDH1A1LMNAMAPTABCB1 | |
| SCHEMBL19070233 | 0.76 | HPGD (0.42) | HPGDCA1CA2MMP1MMP2 | |
| SCHEMBL9441586 | 0.75 | FFAR4 (0.36) | ALDH1A1ACHE | |
| SCHEMBL8260184 | 0.75 | HPGD (0.53) | HPGDCA1CA2MMP1MMP2 | |
| SCHEMBL2440527 | 0.75 | CA1 (0.41) | HPGDCA1CA2MMP1MMP2 | |
| SCHEMBL2440525 | 0.75 | CA1 (0.41) | HPGDCA1CA2MMP1MMP2 | |
| SCHEMBL632366 | 0.73 | AKR1C3 (0.45) | HPGDCA1CA2MMP1MMP2 | |
| SCHEMBL632365 | 0.73 | AKR1C3 (0.45) | HPGDCA1CA2MMP1MMP2 | |
| SCHEMBL9441811 | 0.73 | PTGS2 (0.41) | — | |
| SCHEMBL16140271 | 0.72 | ALDH1A1 (0.39) | ALDH1A1PRSS1PRSS2PRSS3TP53 |
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-112250558-A | Method for preparing carboxylic acid by one-pot method | 湖南大学 | 2021-01-22 | — | — | CN | disclosed |