Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.43 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | KRAS | P01116 | 2/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.32 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.30 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28219960 | 0.90 | NCF1 (0.44) | NCF1NR4A2SOS2ALOX5APFEN1 | |
| SCHEMBL28219982 | 0.90 | NCF1 (0.44) | NCF1NR4A2SOS2ALOX5APFEN1 | |
| SCHEMBL12545963 | 0.77 | NR4A2 (0.56) | NCF1NR4A2SOS2TGFBR1EGFR | |
| SCHEMBL28860238 | 0.74 | MET (0.47) | — | |
| Quinoline SCHEMBL28220135 | 0.72 | MET (0.46) | — | |
| SCHEMBL15155572 | 0.70 | NR4A2 (0.56) | NCF1NR4A2SOS2EGFR | |
| SCHEMBL10389148 | 0.69 | ALDH1A1 (0.41) | IDO1TDO2 | |
| SCHEMBL28220536 | 0.69 | NCF1 (0.47) | NCF1 | |
| SCHEMBL624006 | 0.68 | NR4A2 (0.61) | NCF1NR4A2SOS2FERMT2CCNC | |
| SCHEMBL3854038 | 0.68 | NR4A2 (0.61) | NCF1NR4A2SOS2FERMT2CCNC |
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-108137547-A | It can be used as the heterocyclic compound of TNF α conditioning agent | 百时美施贵宝公司 | 2018-06-08 | — | — | CN | disclosed |