Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LATS1 | O95835 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 11/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21331805 | 0.87 | SLC22A12 (0.44) | LATS1SLC22A12KDM4CCYP3A4CYP2C9 | |
| SCHEMBL21350630 | 0.87 | LATS1 (0.45) | LATS1SLC22A12KDM4CDGAT2 | |
| SCHEMBL21350533 | 0.85 | LATS1 (0.43) | LATS1SLC22A12DGAT2 | |
| SCHEMBL21350752 | 0.83 | SLC22A12 (0.55) | LATS1SLC22A12 | |
| SCHEMBL21350629 | 0.82 | PDCD1 (0.42) | SLC22A12KDM4CCYP3A4CYP2C9CACNA1C | |
| SCHEMBL21350904 | 0.82 | SLC22A12 (0.40) | SLC22A12CNR2CNR1CYP3A4CYP2C9 | |
| SCHEMBL21350528 | 0.81 | SLC22A12 (0.53) | SLC22A12CNR2CNR1CYP3A4CYP2C9 | |
| SCHEMBL21350641 | 0.77 | CYP4F2 (0.47) | SLC22A12CYP3A4CYP2C9DGAT2 | |
| SCHEMBL21350902 | 0.76 | SLC22A12 (0.41) | SLC22A12PDCD1CD274 | |
| SCHEMBL21331851 | 0.75 | SLC22A12 (0.44) | SLC22A12KDM4CCYP3A4CYP2C9PDCD1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |