Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNMA1 | Q12791 | 7/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 5/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.38 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.38 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL6687522 | 0.68 | KCNMA1 (1.00) | KCNMA1ALDH1A1KDM4E | |
| SCHEMBL6686443 | 0.68 | KCNMA1 (1.00) | KCNMA1ALDH1A1KDM4E | |
| SCHEMBL6694339 | 0.68 | KCNMA1 (1.00) | KCNMA1ALDH1A1KDM4E | |
| SCHEMBL6685596 | 0.68 | KCNMA1 (1.00) | KCNMA1ALDH1A1KDM4E | |
| SCHEMBL7119641 | 0.68 | HTT (0.71) | ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL7115705 | 0.68 | HTT (0.71) | ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL6683225 | 0.66 | KCNMA1 (1.00) | KCNMA1ALDH1A1KDM4E | |
| SCHEMBL7128300 | 0.66 | HTT (0.73) | ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL3937317 | 0.64 | IDO1 (0.35) | ALDH1A1LMNAALOX15KDM4EHPGD | |
| SCHEMBL3938196 | 0.64 | ALDH1A1 (0.35) | ALDH1A1HTTLMNAKDM4EHPGD |
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-7528140-B2 | Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors | TEIJIN LIMITED (JP) | 2009-05-05 | — | — | US | disclosed |