Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.94 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.58 |
| ▸ | RECQL | P46063 | 3/20 | 0.58 |
| ▸ | EGFR | P00533 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | FYN | P06241 | 2/20 | 0.58 |
| ▸ | MMP9 | P14780 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | MMP2 | P08253 | 1/20 | 0.58 |
| ▸ | MMP8 | P22894 | 1/20 | 0.58 |
| ▸ | CA6 | P23280 | 1/20 | 0.58 |
| ▸ | CDK2 | P24941 | 1/20 | 0.58 |
| ▸ | MMP12 | P39900 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL20563577 | 0.97 | TRPA1 (1.00) | TRPA1ALDH1A1ATMHPGDHSD17B10 | |
| SCHEMBL67369 | 0.97 | — | — | |
| SCHEMBL7701981 | 0.94 | TRPA1 (0.94) | TRPA1ALDH1A1ATMHPGDHSD17B10 | |
| SCHEMBL27291549 | 0.94 | TRPA1 (0.94) | TRPA1ALDH1A1ATMHPGDHSD17B10 | |
| SCHEMBL27454293 | 0.94 | TRPA1 (0.94) | TRPA1ALDH1A1ATMHPGDHSD17B10 | |
| SCHEMBL1937642 | 0.94 | TRPA1 (0.94) | TRPA1ALDH1A1ATMHPGDHSD17B10 | |
| Pyrogallol SCHEMBL1937411 | 0.94 | TRPA1 (0.94) | TRPA1ALDH1A1ATMHPGDHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL27883641 | 0.94 | TRPA1 (0.94) | TRPA1ALDH1A1ATMHPGDHSD17B10 | |
| Methane SCHEMBL27880213 | 0.94 | TRPA1 (0.94) | TRPA1ALDH1A1ATMHPGDHSD17B10 | |
| Catechol SCHEMBL6436207 | 0.92 | TRPA1 (0.90) | TRPA1ALDH1A1ATMHPGDHSD17B10 |
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-109563127-A | Diagnostic method, therapeutic agent and use thereof | 麦特博隆股份有限公司 | 2019-04-02 | — | — | CN | disclosed |