Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28638364 | 0.81 | CA1 (0.44) | HCAR2CA12CA1CA2CA9 | |
| SCHEMBL2561603 | 0.79 | HCAR2 (0.46) | HCAR2ATM | |
| SCHEMBL4872303 | 0.78 | ABCG2 (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL25659553 | 0.78 | CA12 (0.40) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6258045 | 0.77 | CYP2C19 (0.60) | HCAR2CA12CA1CA2CA9 | |
| SCHEMBL29521617 | 0.77 | CYP2C19 (0.60) | HCAR2CA12CA1CA2CA9 | |
| SCHEMBL29350345 | 0.77 | ALDH1A1 (0.66) | HCAR2ALDH1A1ATMTHRBMAPT | |
| SCHEMBL3654895 | 0.77 | ALDH1A1 (0.66) | HCAR2ALDH1A1ATMTHRBMAPT | |
| SCHEMBL5366124 | 0.77 | ATM (0.43) | HCAR2CA12CA1CA2CA9 | |
| SCHEMBL1501699 | 0.77 | ATM (0.40) | HCAR2CA12CA1CA2CA9 |
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-111511744-B | Diazaindole compounds | 百时美施贵宝公司 | 2023-09-22 | — | — | CN | disclosed |
| CN-112823005-A | Pyrrolopyrimidine ITK inhibitors | 阿克拉瑞斯治疗股份有限公司 | 2021-05-18 | — | — | CN | disclosed |
| CN-111511744-A | Diazaindole compounds | 百时美施贵宝公司 | 2020-08-07 | — | — | CN | disclosed |