Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | ERN1 | O75460 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | BLVRB | P30043 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.49 |
| ▸ | KMO | O15229 | 1/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 2/20 | 0.48 |
| ▸ | RXRB | P28702 | 2/20 | 0.48 |
| ▸ | DDT | P30046 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28334899 | 0.85 | DDT (0.54) | HDAC6ERN1MAOABLVRBAKR1C3 | |
| SCHEMBL2528069 | 0.85 | AKR1C3 (0.55) | HDAC6ERN1AKR1C3AKR1C2KMO | |
| SCHEMBL28160253 | 0.84 | TTR (0.57) | HDAC6ERN1SCN9APDK2FOLH1 | |
| SCHEMBL411711 | 0.82 | MAOA (0.65) | HDAC6ERN1MAOABLVRBAKR1C3 | |
| SCHEMBL5050473 | 0.81 | HDAC6 (0.56) | HDAC6ERN1MAOABLVRBAKR1C3 | |
| SCHEMBL27795731 | 0.80 | ERN1 (0.55) | HDAC6ERN1MAOABLVRBAKR1C3 | |
| SCHEMBL4229287 | 0.78 | AKR1C3 (0.55) | HDAC6ERN1AKR1C3AKR1C2KMO | |
| SCHEMBL4517114 | 0.78 | SCN9A (0.43) | AKR1C3AKR1C2SCN9APDK2RXRA | |
| SCHEMBL21357712 | 0.78 | TRPA1 (0.49) | SCN9APDK2TRPA1 | |
| SCHEMBL121673 | 0.78 | AKR1C3 (0.61) | HDAC6AKR1C3AKR1C2KMOSCN9A |
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-105102449-B | Antiviral compound | 豪夫迈·罗氏有限公司 | 2017-06-13 | — | — | CN | claimed |