Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN10A | Q9Y5Y9 | 8/20 | 0.44 |
| ▸ | SMARCA2 | P51531 | 2/20 | 0.41 |
| ▸ | SMARCA4 | P51532 | 2/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | MC3R | P41968 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
| ▸ | TET3 | O43151 | 1/20 | 0.39 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28663446 | 0.85 | KDM4E (0.55) | SCN10ASMARCA2SMARCA4ANO1KCNK3 | |
| SCHEMBL23488366 | 0.82 | KCNK3 (0.62) | KCNK3KCNK9MAPT | |
| SCHEMBL17942340 | 0.82 | ALDH1A1 (0.44) | SMARCA2SMARCA4ANO1KCNK3KCNK9 | |
| SCHEMBL17076844 | 0.80 | APP (0.43) | SCN10ARAF1ADORA3TSHRMC4R | |
| SCHEMBL31633789 | 0.79 | ACVRL1 (0.52) | TSHRGSK3BKDRKDM4EALDH1A1 | |
| SCHEMBL23405316 | 0.79 | ANO1 (0.47) | SMARCA2SMARCA4RAF1ANO1ADORA3 | |
| SCHEMBL5007785 | 0.79 | EGFR (0.41) | SCN10AANO1KCNK3KCNK9KDR | |
| SCHEMBL22658181 | 0.78 | AR (0.45) | SMARCA2SMARCA4ANO1SORT1KDM4E | |
| SCHEMBL28294352 | 0.78 | RAF1 (0.43) | SMARCA2SMARCA4RAF1ANO1SORT1 | |
| SCHEMBL20652765 | 0.77 | ADORA3 (0.39) | SCN10ARAF1ADORA3TSHRMC4R |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | claimed |
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |
| CN-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |