Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 9/20 | 0.48 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL21350902 | 0.86 | SLC22A12 (0.41) | SLC22A12KDM4EALDH1A1HPGD | |
| SCHEMBL28415061 | 0.85 | L3MBTL1 (0.44) | SLC22A12PTGDR2KDM4EALDH1A1HPGD | |
| SCHEMBL21350750 | 0.83 | PTGDR2 (0.45) | SLC22A12PTGDR2KDM4EALDH1A1HPGD | |
| SCHEMBL21331807 | 0.83 | SLC22A12 (0.43) | SLC22A12PTGDR2KDM4EALDH1A1HPGD | |
| SCHEMBL28411844 | 0.83 | PTGDR2 (0.41) | SLC22A12PTGDR2KDM4EALDH1A1HPGD | |
| SCHEMBL21350302 | 0.83 | TBXAS1 (0.41) | SLC22A12PTGDR2KDM4EALDH1A1HPGD | |
| SCHEMBL21331860 | 0.82 | CYP2C9 (0.54) | SLC22A12KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL21331844 | 0.82 | SLC22A12 (0.46) | SLC22A12KDM4EALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL28414576 | 0.82 | SLC22A12 (0.46) | SLC22A12PTGDR2PTGDRCYP3A4CYP2C9 | |
| SCHEMBL21331877 | 0.81 | SLC22A12 (0.51) | SLC22A12PTGDR2TDP1CYP3A4CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108440397-B | 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof | 南方医科大学 | 2020-06-05 | — | — | CN | disclosed |
| WO-2019169890-A1 | 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF | 南方医科大学 | 2019-09-12 | — | — | WO | disclosed |
| WO-2019169890-A1 | 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF | 南方医科大学 | 2019-09-12 | — | — | WO | disclosed |