Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31186207 | 0.77 | TSHR (0.36) | TRPA1ATMTSHRLMNACYP1A2 | |
| SCHEMBL8917666 | 0.77 | TSHR (0.36) | TRPA1ATMTSHRLMNACYP1A2 | |
| SCHEMBL29688925 | 0.75 | CYP3A4 (0.42) | TRPA1TP53TDP1TSHRHSD17B10 | |
| SCHEMBL24978467 | 0.75 | TP53 (0.36) | TRPA1ATMTP53TDP1ESR1 | |
| SCHEMBL207038 | 0.75 | TRPA1 (0.57) | TRPA1ATMTP53TDP1ESR1 | |
| SCHEMBL30388902 | 0.75 | TRPA1 (0.57) | TRPA1ATMTP53TDP1ESR1 | |
| SCHEMBL20745897 | 0.74 | TRPA1 (0.44) | TRPA1TP53TDP1ESR1ESR2 | |
| SCHEMBL361051 | 0.73 | PIM1 (0.41) | TRPA1TP53TDP1TSHRCASP1 | |
| Phosphine SCHEMBL1067227 | 0.72 | TRPA1 (0.55) | TRPA1ATMTP53TDP1ESR1 | |
| Ammonia Solution, Strong SCHEMBL1065150 | 0.72 | TRPA1 (0.55) | TRPA1ATMTP53TDP1ESR1 |
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-2023006088-A1 | COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION AND USE THEREOF | 浙江大学智能创新药物研究院 | 2023-02-02 | — | — | WO | disclosed |