Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24600598 | 1.00 | ESR1 (0.41) | ESR1CYP2D6CYP2C9CYP2C19HPGD | |
| SCHEMBL29691620 | 0.80 | ENPP1 (0.56) | ENPP3ENPP1IKBKBCHUKNEK1 | |
| SCHEMBL26679935 | 0.80 | IKBKB (0.46) | ENPP3ENPP1IKBKBCHUKNEK1 | |
| SCHEMBL24600558 | 0.80 | ENPP1 (0.56) | ENPP3ENPP1IKBKBCHUKNEK1 | |
| SCHEMBL29691507 | 0.79 | IKBKB (0.53) | CYP2C9L3MBTL1IKBKBCHUKALDH1A1 | |
| SCHEMBL26679888 | 0.79 | IKBKB (0.53) | CYP2C9L3MBTL1IKBKBCHUKALDH1A1 | |
| SCHEMBL29692020 | 0.78 | CCNK (0.46) | CYP2C9ENPP3ENPP1IKBKBCHUK | |
| SCHEMBL24600501 | 0.78 | CCNK (0.46) | CYP2C9ENPP3ENPP1IKBKBCHUK | |
| SCHEMBL26877422 | 0.75 | ADRB2 (0.41) | ENPP3ENPP1IKBKBCHUK | |
| SCHEMBL29248809 | 0.74 | ENPP1 (0.43) | CYP2C9ENPP3ENPP1IKBKBCHUK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022146022-A1 | NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF | 주식회사 티씨노바이오사이언스 | 2022-07-07 | — | — | WO | claimed |
| WO-2022146022-A1 | NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF | 주식회사 티씨노바이오사이언스 | 2022-07-07 | — | — | WO | disclosed |