Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL5696420 | 0.85 | FFAR1 (0.62) | CYP17A1CYP11B1CYP11B2FFAR1CYP2E1 | |
| SCHEMBL28295990 | 0.83 | CA2 (0.50) | CHEK2CYP17A1CYP11B1CYP11B2CYP2E1 | |
| SCHEMBL2102408 | 0.80 | TAAR1 (0.55) | CAPN1ALDH1A1LMNAHDAC6HDAC8 | |
| SCHEMBL27841461 | 0.80 | FFAR1 (0.44) | CHEK2CYP17A1CYP11B1CYP11B2FFAR1 | |
| Hydrochloric Acid SCHEMBL5347350 | 0.79 | TAAR1 (0.53) | CAPN1ALDH1A1LMNAHDAC6HDAC8 | |
| SCHEMBL5801662 | 0.77 | FFAR1 (0.71) | FFAR1LMNAHDAC1MMP2MMP9 | |
| SCHEMBL20399733 | 0.77 | HDAC2 (0.62) | FFAR1CAPN1ALDH1A1LMNAHDAC2 | |
| SCHEMBL4612023 | 0.77 | CYP17A1 (0.53) | CHEK2CYP17A1CYP11B1CYP11B2CYP2E1 | |
| SCHEMBL4591629 | 0.75 | MAOB (0.55) | FFAR1CAPN1ALDH1A1LMNAHDAC1 | |
| SCHEMBL27988046 | 0.75 | MAOB (0.55) | FFAR1CAPN1ALDH1A1LMNAHDAC2 |
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-109776537-A | Purinedione as WNT pathway modulators | 新加坡科技研究局 | 2019-05-21 | — | — | CN | disclosed |