Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.74 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11739701 | 1.00 | HCAR2 (0.74) | HCAR2MMP1MMP2MMP9MMP12 | |
| SCHEMBL28592782 | 0.83 | HCAR2 (0.51) | HCAR2MMP2MMP9MMP12MAOA | |
| SCHEMBL1592472 | 0.81 | HCAR2 (0.68) | HCAR2MMP1MMP2MMP9MMP12 | |
| SCHEMBL14936905 | 0.81 | HCAR2 (0.49) | HCAR2MMP1MMP2MMP9MMP12 | |
| SCHEMBL14936903 | 0.81 | HCAR2 (0.49) | HCAR2MMP1MMP2MMP9MMP12 | |
| SCHEMBL28167053 | 0.81 | MMP1 (0.53) | HCAR2MMP1MMP2MMP9MMP12 | |
| SCHEMBL28073168 | 0.81 | MRGPRX4 (0.52) | HCAR2EGFRJAK3BTK | |
| SCHEMBL1070423 | 0.80 | HCAR2 (0.71) | HCAR2ALDH1A1EGFRJAK3BTK | |
| SCHEMBL1070426 | 0.80 | HCAR2 (0.71) | HCAR2ALDH1A1EGFRJAK3BTK | |
| SCHEMBL29883597 | 0.79 | HCAR2 (0.62) | HCAR2MMP1MMP2MMP9MMP12 |
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 |
|---|---|---|---|---|---|---|---|
| US-4044141-A | CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-23 | — | — | US | disclosed |