Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 2/20 | 0.39 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | FLT3 | P36888 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6757877 | 0.83 | CYP2A6 (0.44) | CYP3A4TDP1HSD17B10TAAR1ESR2 | |
| SCHEMBL1302811 | 0.82 | CYP2A6 (0.48) | CYP3A4TDP1HSD17B10ESR2ALDH1A1 | |
| SCHEMBL6517747 | 0.81 | ESR2 (0.42) | ESR2 | |
| SCHEMBL29159006 | 0.80 | CYP2A6 (0.46) | CYP3A4TDP1HSD17B10ESR2ALDH1A1 | |
| SCHEMBL4359377 | 0.79 | ESR2 (0.66) | CYP3A4TDP1HSD17B10TAAR1ESR2 | |
| SCHEMBL651587 | 0.79 | ALDH1A1 (0.44) | TDP1ESR2ALDH1A1TP53KDR | |
| SCHEMBL6512088 | 0.79 | ESR2 (0.41) | ESR2 | |
| SCHEMBL7932862 | 0.79 | ESR2 (0.41) | TDP1ESR2ALDH1A1MAPTMEN1 | |
| SCHEMBL27762468 | 0.79 | CYP1A2 (0.44) | HSD17B10ESR2ALDH1A1TP53KDM4E | |
| SCHEMBL6509952 | 0.79 | AR (0.36) | TDP1HSD17B10ESR2ALDH1A1MAPT |
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-108697714-B | Fused pyrimidine compound or salt thereof | 大鹏药品工业株式会社 | 2022-04-26 | — | — | CN | disclosed |