Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | TNF | P01375 | 1/20 | 0.52 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.52 |
| ▸ | MGAM | O43451 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 2/20 | 0.48 |
| ▸ | MMP8 | P22894 | 2/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | PPARD | Q03181 | 4/20 | 0.47 |
| ▸ | PPARA | Q07869 | 4/20 | 0.47 |
| ▸ | PPARG | P37231 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29538743 | 1.00 | CYP1A2 (0.56) | CYP1A2TNFNOD1MGAMKDM4E | |
| SCHEMBL28724619 | 0.90 | CYP1A1 (0.58) | TNFNOD1MGAMMMP9MMP8 | |
| SCHEMBL29600272 | 0.90 | CYP1A1 (0.58) | TNFNOD1MGAMMMP9MMP8 | |
| SCHEMBL29538374 | 0.88 | MGAM (0.57) | CYP1A2MGAMKDM4ENPC1RAB9A | |
| SCHEMBL28739939 | 0.88 | MGAM (0.57) | CYP1A2MGAMKDM4ENPC1RAB9A | |
| SCHEMBL29538766 | 0.85 | KDM4E (0.49) | CYP1A2TNFNOD1MGAMKDM4E | |
| SCHEMBL28740206 | 0.85 | KDM4E (0.49) | CYP1A2TNFNOD1MGAMKDM4E | |
| SCHEMBL29538695 | 0.84 | MGLL (0.56) | TNFNOD1MGAMKDM4ENPC1 | |
| SCHEMBL28739937 | 0.84 | MGLL (0.56) | TNFNOD1MGAMKDM4ENPC1 | |
| SCHEMBL593642 | 0.83 | TNF (0.71) | TNFNOD1KDM4ENPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109134399-B | Benzothiazole-containing 1, 4-pentadiene-3-ketone derivative, and preparation method and application thereof | 贵州大学 | 2022-04-26 | — | — | CN | disclosed |