Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20356287 | 0.82 | HTR2A (0.41) | CYP2A6CYP1A2MAPTRXFP1HTR2A | |
| SCHEMBL21983449 | 0.73 | HTR2A (0.41) | CYP2A6CYP1A2MAPTRXFP1HTR2A | |
| SCHEMBL5986735 | 0.71 | MAPT (0.52) | CYP2A6CYP1A2MAPTRXFP1HTR2A | |
| SCHEMBL21335596 | 0.71 | MAPT (0.43) | CYP2A6CYP1A2MAPTRXFP1HTR2A | |
| SCHEMBL12968248 | 0.70 | BRPF1 (0.44) | CYP2A6MAPTTDP1KDM4EALDH1A1 | |
| SCHEMBL16507810 | 0.69 | CYP1A2 (0.44) | CYP2A6CYP1A2MAPTRXFP1HTR2A | |
| SCHEMBL21983450 | 0.69 | CYP1A2 (0.39) | CYP2A6CYP1A2MAPTRXFP1HTR2A | |
| SCHEMBL20117060 | 0.67 | KMO (0.44) | CYP2A6CYP1A2HTR2AHTR2CADRA2A | |
| SCHEMBL21983716 | 0.65 | CYP2A6 (0.39) | CYP2A6CYP1A2MAPTRXFP1HTR2A | |
| SCHEMBL24345321 | 0.65 | ALDH1A1 (0.47) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3647311-B1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF | BEIJING TIDE PHARMACEUTICAL CO LTD (CN) | 2023-11-01 | — | — | EP | disclosed |
| EP-3932404-A1 | METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS | Beijing Tide Pharmaceutical Co., Ltd. (CN) | 2022-01-05 | — | — | EP | disclosed |
| EP-3647311-A1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF | Beijing Tide Pharmaceutical Co., Ltd. (CN) | 2020-05-06 | — | — | EP | disclosed |