Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 3/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20812226 | 0.85 | KMO (0.53) | KMOPDK2HDAC8ERN1MEN1 | |
| SCHEMBL6279720 | 0.84 | NR1H3 (0.50) | KMT2AHPGDTSHR | |
| Trifluoroacetic Acid SCHEMBL5067780 | 0.83 | PDK2 (0.57) | KMOPDK2HDAC8ERN1KEAP1 | |
| SCHEMBL30283775 | 0.81 | ERN1 (0.60) | KMOPDK2HDAC8ERN1KEAP1 | |
| SCHEMBL1135975 | 0.81 | ERN1 (0.60) | KMOPDK2HDAC8ERN1KEAP1 | |
| Hydrochloric Acid SCHEMBL28646857 | 0.80 | ERN1 (0.59) | KMOPDK2HDAC8ERN1KEAP1 | |
| SCHEMBL28022357 | 0.78 | KMO (0.56) | KMOHDAC8ERN1MEN1KMT2A | |
| Trimethylammonium SCHEMBL27623058 | 0.75 | KMO (0.81) | KMOHDAC8ERN1KEAP1ERCC5 | |
| SCHEMBL772236 | 0.75 | KMO (0.53) | KMOHDAC8ERN1MEN1KMT2A | |
| SCHEMBL4434800 | 0.73 | HPGD (0.73) | KMOHDAC8ERCC5FEN1LMNA |
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-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |