Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.43 |
| ▸ | HPGD | P15428 | 8/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | HTT | P42858 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27699850 | 0.85 | ALOX5 (0.46) | ALDH1A1HPGDKMT2AKDM4EHTT | |
| SCHEMBL27699772 | 0.82 | ALOX5 (0.44) | ALDH1A1HPGDKMT2AKDM4EMEN1 | |
| SCHEMBL4082802 | 0.78 | ALOX5 (0.50) | ALDH1A1HPGDKMT2AKDM4EHTT | |
| SCHEMBL28768571 | 0.77 | ALOX5 (0.47) | ALDH1A1HPGDKMT2AMEN1LMNA | |
| SCHEMBL27699684 | 0.76 | ALOX5 (0.56) | ALDH1A1HPGDKDM4ESMN1; SMN2LMNA | |
| SCHEMBL27720312 | 0.76 | ALOX5 (0.41) | ALDH1A1HPGDKMT2AKDM4EHTT | |
| SCHEMBL27699681 | 0.73 | ALOX5 (0.40) | ALDH1A1HPGDKDM4EHTTSMN1; SMN2 | |
| SCHEMBL27699702 | 0.71 | ALOX5 (0.44) | ALDH1A1HPGDKDM4EHTTLMNA | |
| SCHEMBL27720333 | 0.69 | ALOX5 (0.50) | ALDH1A1HPGDKDM4ESMN1; SMN2AKR1B1 | |
| SCHEMBL27720330 | 0.68 | ALOX5 (0.55) | ALDH1A1HPGDKDM4ESMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101146802-A | Thiadiazole-substituted coumarin derivatives and their use as leukotriene biosynthesis inhibitors | MERCK FROSST CANADA LTD (CA) | 2008-03-19 | — | — | CN | claimed |