Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27842773 | 0.79 | LMNA (0.41) | GLAACHELMNACYP3A4KDM4E | |
| SCHEMBL7049079 | 0.75 | LMNA (0.48) | GLAACHELMNACYP3A4KDM4E | |
| SCHEMBL27713237 | 0.71 | ERCC1 (0.48) | GLAALDH1A1ACHELMNAKDM4E | |
| SCHEMBL7114628 | 0.71 | CYP3A4 (0.47) | ALDH1A1ACHELMNACYP3A4KDM4E | |
| SCHEMBL13864993 | 0.71 | BACE1 (0.50) | ACHELMNACYP3A4KDM4EPOLB | |
| SCHEMBL7225909 | 0.69 | MAPT (0.47) | LMNACYP3A4KDM4EMAPTMEN1 | |
| SCHEMBL28577024 | 0.68 | LMNA (0.50) | GLAALDH1A1ACHELMNACYP3A4 | |
| SCHEMBL924812 | 0.68 | NOTUM (0.45) | GLAALDH1A1LMNAKDM4EGAA | |
| SCHEMBL24723409 | 0.67 | HTR1D (0.59) | GLAALDH1A1LMNACYP3A4KDM4E | |
| SCHEMBL11957057 | 0.67 | ACHE (0.59) | GLAALDH1A1ACHELMNACYP3A4 |
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-101522626-A | 3-pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents | HOFFMANN LA ROCHE (CH) | 2009-09-02 | — | — | CN | disclosed |