Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 2/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9002400 | 0.87 | MTNR1A (0.35) | ALDH1A1GAAPOLBCDK8ROCK1 | |
| SCHEMBL9002613 | 0.86 | CNR2 (0.37) | ALDH1A1GAAPOLBKDM4ECDK8 | |
| SCHEMBL9002210 | 0.86 | SMN1; SMN2 (0.38) | ALDH1A1GAAPOLBKDM4EEPHX1 | |
| SCHEMBL9001920 | 0.84 | MTNR1A (0.47) | ALDH1A1CDK8ROCK1FLT1CDK9 | |
| SCHEMBL9002005 | 0.84 | HTT (0.43) | ALDH1A1GAAPOLBKDM4EEPHX1 | |
| SCHEMBL9001916 | 0.83 | SMN1; SMN2 (0.36) | ALDH1A1GAAPOLBKDM4ECDK8 | |
| SCHEMBL9001977 | 0.82 | MTNR1B (0.37) | ALDH1A1KDM4ECDK8ROCK1FLT1 | |
| Hydrochloric Acid SCHEMBL9001979 | 0.82 | SMN1; SMN2 (0.36) | ALDH1A1GAAPOLBKDM4ECDK8 | |
| SCHEMBL9002244 | 0.82 | SMN1; SMN2 (0.46) | ALDH1A1POLBKDM4EEPHX1KDR | |
| SCHEMBL9002082 | 0.81 | LMNA (0.39) | ALDH1A1GAAKDM4ETSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5587383-A | CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| EP-0471236-B1 | Imidazopyridine derivatives and their use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5395839-A | Calmodulin and angiogenesis inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-03-07 | — | — | US | disclosed |
| US-5244908-A | Calmodulin inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-09-14 | — | — | US | disclosed |
| EP-0471236-A1 | Imidazopyridine derivatives and their use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-02-19 | — | — | EP | disclosed |