Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP3 | O14638 | 1/20 | 0.46 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 9/20 | 0.40 |
| ▸ | PPARA | Q07869 | 9/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL28590393 | 0.95 | MCL1 (0.42) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL1657918 | 0.87 | PIM1 (0.42) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL20298645 | 0.82 | ENPP3 (0.46) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL28596661 | 0.81 | CA12 (0.41) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL3798335 | 0.80 | CA12 (0.62) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL28135504 | 0.79 | HDAC8 (0.45) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL30122908 | 0.78 | CA12 (0.66) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL316112 | 0.76 | TNF (0.57) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL5813227 | 0.76 | CYP1A2 (0.38) | CYP1A2TNFKDM4EALDH1A1HPGD | |
| SCHEMBL27727111 | 0.75 | PPARG (0.40) | ENPP3ENPP1CA12CA1CA2 |
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-111430557-A | Organic electroluminescent device | 默克专利有限公司 | 2020-07-17 | — | — | CN | disclosed |