Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | FASN | P49327 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL25036057 | 0.96 | MCL1 (0.37) | MCL1XDHPIM1CA1CA2 | |
| SCHEMBL25036072 | 0.89 | XDH (0.38) | XDHFASNALDH1A1KDM4ELMNA | |
| SCHEMBL25036043 | 0.88 | CYP11B1 (0.38) | MCL1XDHPIM1CYP1A2CYP2C9 | |
| SCHEMBL25036143 | 0.88 | CYP11B1 (0.38) | MCL1XDHPIM1CYP1A2CYP2C9 | |
| SCHEMBL25038667 | 0.87 | ATM (0.39) | XDHCYP1A2CYP2C9CYP2C19FASN | |
| SCHEMBL25038521 | 0.86 | XDH (0.39) | MCL1XDHPIM1CA1CA2 | |
| SCHEMBL25037994 | 0.86 | XDH (0.34) | MCL1XDHCA1CA2CYP1A2 | |
| SCHEMBL25038518 | 0.85 | NPSR1 (0.36) | XDHCYP1A2CYP2C9CYP2C19FASN | |
| SCHEMBL25036074 | 0.85 | XDH (0.41) | MCL1XDHPIM1CA1CA2 | |
| SCHEMBL25038444 | 0.85 | PIM1 (0.41) | XDHPIM1CA1CA2CYP1A2 |
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-2023018267-A1 | NOVEL COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2023-02-16 | — | — | WO | disclosed |