Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 7/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | STAT6 | P42226 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19361211 | 0.72 | CYP3A4 (0.30) | CYP3A4 | |
| Lappalone SCHEMBL29554118 | 0.70 | PTPN1 (0.31) | CYP3A4 | |
| Dehydrocostuslactone SCHEMBL31029489 | 0.68 | CYP19A1 (0.46) | PKMNLRP3ALDH1A1LMNATP53 | |
| Dehydrocostuslactone SCHEMBL936050 | 0.68 | CYP19A1 (0.46) | PKMNLRP3ALDH1A1LMNATP53 | |
| Dehydrocostuslactone SCHEMBL699070 | 0.68 | CYP19A1 (0.46) | PKMNLRP3ALDH1A1LMNATP53 | |
| SCHEMBL17147754 | 0.65 | PKM (0.55) | PKMNLRP3PAX8ALDH1A1LMNA | |
| SCHEMBL17147746 | 0.65 | PKM (0.55) | PKMNLRP3PAX8ALDH1A1LMNA | |
| SCHEMBL29368384 | 0.64 | PKM (0.44) | PKMNLRP3ALDH1A1LMNATP53 | |
| SCHEMBL12516833 | 0.61 | — | — | |
| SCHEMBL31169568 | 0.59 | — | — |
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-2024189607-A1 | METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT | DIDENKO KIRILL (MX) | 2024-09-19 | — | — | WO | disclosed |
| CN-114496301-A | Use of compositions in the treatment of Crohn's disease | 安徽誉隆亚东药业有限公司 | 2022-05-13 | — | — | CN | disclosed |