Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TYR | P14679 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL29240397 | 0.84 | TRPA1 (0.50) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL11443443 | 0.82 | TRPA1 (0.48) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL29773153 | 0.81 | TRPA1 (0.41) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL17318269 | 0.81 | TYR (0.41) | LMNACHRM1SLC6A2CNR1CNR2 | |
| SCHEMBL31190193 | 0.80 | TYR (0.42) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL31190191 | 0.79 | TRPA1 (0.52) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL599002 | 0.79 | TRPA1 (0.52) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL11443446 | 0.78 | TRPA1 (0.52) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL3842087 | 0.78 | TAAR1 (0.60) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL6562301 | 0.77 | TAAR1 (0.59) | CNR1CNR2MEN1KMT2ATYR |
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 |
|---|---|---|---|---|---|---|---|
| CN-115850345-A | Quinoline functional nitrogen heterocyclic carbene ruthenium complex with multiple anti-cancer activities and preparation method thereof | 浙江树人学院 | 2023-03-28 | — | — | CN | disclosed |
| US-4113645-A | QUATERNARY AMMONIUM SALT DISPERSANT | POLAK'S FRUTAL WORKS, INC. (US) | 1978-09-12 | — | — | US | disclosed |