Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 10/20 | 0.73 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.59 |
| ▸ | CREB1 | P16220 | 6/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.55 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.55 |
| ▸ | FLT3 | P36888 | 1/20 | 0.55 |
| ▸ | PTPRS | Q13332 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | SI | P14410 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | GABRP | O00591 | 1/20 | 0.52 |
| ▸ | GABRD | O14764 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29074005 | 0.88 | ABCB1 (0.65) | ABCB1ABCG2CREB1PRSS1PRSS2 | |
| SCHEMBL30577294 | 0.88 | ABCB1 (0.65) | ABCB1ABCG2CREB1PRSS1PRSS2 | |
| SCHEMBL30577296 | 0.85 | CREB1 (0.69) | ABCB1ABCG2CREB1PRSS1PRSS2 | |
| SCHEMBL30730485 | 0.85 | ABCB1 (0.61) | ABCB1ABCG2CREB1PRSS1PRSS2 | |
| SCHEMBL29074013 | 0.85 | CREB1 (0.69) | ABCB1ABCG2CREB1PRSS1PRSS2 | |
| SCHEMBL29149099 | 0.85 | ABCB1 (0.61) | ABCB1ABCG2CREB1PRSS1PRSS2 | |
| SCHEMBL29149119 | 0.83 | ABCB1 (1.00) | ABCB1ABCG2CREB1PRSS1PRSS2 | |
| SCHEMBL29149151 | 0.82 | ABCB1 (0.58) | ABCB1ABCG2CREB1PRSS1PRSS2 | |
| SCHEMBL29149120 | 0.80 | ABCG2 (0.71) | ABCB1ABCG2CREB1PRSS1PRSS2 | |
| SCHEMBL24882669 | 0.78 | EGFR (0.78) | ABCB1ABCG2SLCO2B1FLT3CYP3A4 |
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-117447402-A | Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof | 德明药泰生物技术（深圳）有限公司 | 2024-01-26 | — | — | CN | disclosed |