Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PRNP | P04156 | 5/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21350743 | 0.90 | SLC22A12 (0.44) | SLC22A12LMNAKDM4ETDP1ALDH1A1 | |
| SCHEMBL21350741 | 0.89 | SLC22A12 (0.43) | SLC22A12LMNAKDM4ETDP1ALDH1A1 | |
| SCHEMBL21350521 | 0.87 | SLC22A12 (0.62) | SLC22A12LMNAKDM4EALDH1A1HPGD | |
| SCHEMBL21350619 | 0.87 | KDM4E (0.47) | SLC22A12LMNAKDM4ETDP1ALDH1A1 | |
| SCHEMBL21331815 | 0.86 | SLC22A12 (0.53) | SLC22A12LMNAKDM4EALDH1A1HPGD | |
| SCHEMBL21350522 | 0.82 | SLC22A12 (0.44) | SLC22A12LMNAKDM4ETDP1ALDH1A1 | |
| SCHEMBL21350897 | 0.81 | SLC22A12 (0.57) | SLC22A12 | |
| SCHEMBL21350537 | 0.80 | CYP4F2 (0.52) | SLC22A12LMNAALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL21350749 | 0.79 | CASP3 (0.43) | LMNAKDM4EALDH1A1HPGDMAPT | |
| SCHEMBL28411823 | 0.77 | SLC22A12 (0.40) | SLC22A12LMNAKDM4EHTTMAPT |
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 |