Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.33 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.33 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22645762 | 0.73 | HCAR2 (0.40) | HCAR2ALDH1A1TP53HSD17B10GABRA1 | |
| SCHEMBL30640267 | 0.72 | CYP1A2 (0.39) | ALDH1A1MAPTKDM4EKMT2AL3MBTL1 | |
| SCHEMBL8131373 | 0.72 | CYP1A2 (0.39) | ALDH1A1MAPTKDM4EKMT2AL3MBTL1 | |
| SCHEMBL24435590 | 0.71 | HCAR2 (0.38) | HCAR2ALDH1A1TP53HSD17B10GABRA1 | |
| SCHEMBL213819 | 0.71 | TSHR (0.57) | HCAR2ALDH1A1TP53HSD17B10GABRA1 | |
| SCHEMBL18328175 | 0.71 | TSHR (0.57) | HCAR2ALDH1A1TP53HSD17B10GABRA1 | |
| SCHEMBL28159387 | 0.71 | TSHR (0.57) | HCAR2ALDH1A1TP53HSD17B10GABRA1 | |
| SCHEMBL28202615 | 0.70 | TSHR (0.55) | HCAR2ALDH1A1TP53HSD17B10GABRA1 | |
| SCHEMBL16672570 | 0.69 | ALDH1A1 (0.52) | HCAR2ALDH1A1TP53HSD17B10GABRA1 | |
| SCHEMBL3786370 | 0.69 | HCAR2 (0.61) | HCAR2ALDH1A1TP53HSD17B10GABRA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3672977-B1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2022-06-22 | — | — | EP | disclosed |
| WO-2019038250-A1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | disclosed |