Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| 3-Methylpyridine SCHEMBL28042698 | 0.82 | CYP2A6 (0.46) | CYP2A6CYP3A4ALDH1A1MAPTKMT2A | |
| Ethoxycarbonyl Group SCHEMBL27864996 | 0.81 | LMNA (0.39) | ALDH1A1MAPTPTGS2TP53POLB | |
| Ethoxycarbonyl Group SCHEMBL27518929 | 0.81 | MKNK1 (0.39) | ALDH1A1MAPTPTGS2TP53POLB | |
| Ethoxycarbonyl Group SCHEMBL27689052 | 0.81 | PTGS2 (0.38) | CYP3A4ALDH1A1MAPTPTGS2TP53 | |
| Ethoxycarbonyl Group SCHEMBL27667499 | 0.81 | PTGS2 (0.38) | ALDH1A1MAPTPTGS2TP53POLB | |
| 3-Methylpyridine SCHEMBL27972309 | 0.79 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1KMT2ANPC1 | |
| Ethoxycarbonyl Group SCHEMBL28366502 | 0.78 | NAPRT (0.45) | CYP3A4MAPTPTGS2LMNATSHR | |
| 3-Methylpyridine SCHEMBL22973718 | 0.77 | CYP2A6 (0.48) | CYP2A6CYP3A4ALDH1A1MAPTPTGS2 | |
| 3-Methylpyridine SCHEMBL28064635 | 0.77 | CYP2A6 (0.48) | CYP2A6CYP3A4ALDH1A1KMT2ANPC1 | |
| 3-Methylpyridine SCHEMBL27456676 | 0.77 | CYP2A6 (0.48) | CYP2A6CYP3A4ALDH1A1MAPTPTGS2 |
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-105793236-A | Dimethylbenzoic acid compound | 伊莱利利公司 | 2016-07-20 | — | — | CN | disclosed |