Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 2/20 | 0.42 |
| ▸ | RXRB | P28702 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | DDT | P30046 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4229287 | 0.83 | AKR1C3 (0.55) | AKR1C3AKR1C2HDAC1HDAC6FOLH1 | |
| SCHEMBL2528069 | 0.78 | AKR1C3 (0.55) | AKR1C3AKR1C2HDAC1HDAC6FOLH1 | |
| SCHEMBL121673 | 0.75 | AKR1C3 (0.61) | AKR1C3AKR1C2HDAC1HDAC6KMO | |
| SCHEMBL28706006 | 0.75 | LDHA (0.43) | AKR1C3AKR1C2HDAC6KMO | |
| SCHEMBL28160262 | 0.72 | HDAC6 (0.51) | AKR1C3AKR1C2HDAC1HDAC6FOLH1 | |
| SCHEMBL28334899 | 0.72 | DDT (0.54) | AKR1C3AKR1C2HDAC1HDAC6FOLH1 | |
| SCHEMBL31214582 | 0.71 | KMO (0.50) | AKR1C3AKR1C2FOLH1KMORXRA | |
| SCHEMBL29908006 | 0.70 | GLRA3 (0.41) | — | |
| SCHEMBL28688436 | 0.69 | DHODH (0.43) | AKR1C3AKR1C2RXRARXRBPDK2 | |
| SCHEMBL8442426 | 0.68 | RXRA (0.71) | AKR1C3AKR1C2HDAC1HDAC6KMO |
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-113943290-A | Polycyclic aromatic compound and application thereof in electroluminescent device | 清华大学 | 2022-01-18 | — | — | CN | disclosed |