Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4784399 | 0.88 | RAB9A (0.38) | CYP1A2ADORA2ADHODHALDH1A1GAA | |
| SCHEMBL4786223 | 0.85 | MAOB (0.46) | ADORA2AADORA2BALDH1A1KDM4EKMT2A | |
| SCHEMBL4788478 | 0.82 | HSD11B1 (0.42) | ADORA2AALDH1A1SMN1; SMN2 | |
| SCHEMBL2682845 | 0.81 | CYP1A2 (0.55) | CYP1A2ADORA2AADORA2BDHODHALDH1A1 | |
| SCHEMBL11312831 | 0.78 | CYP1A2 (0.58) | CYP1A2HDAC1HDAC8HDAC6ADORA2A | |
| Hydrochloric Acid SCHEMBL6312707 | 0.76 | HDAC6 (0.43) | HDAC6NQO2ALDH1A1MAPTKMT2A | |
| SCHEMBL4787624 | 0.75 | CYP1A2 (0.49) | CYP1A2DHODHPTGER1 | |
| SCHEMBL4787412 | 0.74 | TP53 (0.49) | HDAC1HDAC8HDAC6ALDH1A1GAA | |
| SCHEMBL4786802 | 0.73 | ALDH1A1 (0.47) | ALDH1A1GAAMAPTKDM4EHPGD | |
| Hydrochloric Acid SCHEMBL6313849 | 0.71 | GRM5 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008111794-A1 | 4-METHYLIMIDAZOL-5-YLCARBONYLGUANIDINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE ISCHEMIC HEART DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT | KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2008-09-18 | — | — | WO | disclosed |