Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | CDK4 | P11802 | 1/20 | 0.50 |
| ▸ | CCND1 | P24385 | 1/20 | 0.50 |
| ▸ | JUN | P05412 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | BCR | P11274 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.46 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13704168 | 0.83 | IAPP (0.55) | TRPA1MAPTLMNACA2CA1 | |
| SCHEMBL717976 | 0.78 | TRPA1 (0.76) | TRPA1MAPTLMNANFKB1CDK4 | |
| SCHEMBL108389 | 0.78 | TRPA1 (0.76) | TRPA1MAPTLMNANFKB1CDK4 | |
| SCHEMBL15018017 | 0.78 | ABL1 (0.49) | TRPA1MAPTLMNANFKB1CDK4 | |
| SCHEMBL24108718 | 0.77 | CA1 (0.39) | TRPA1MAPTLMNANFKB1CDK4 | |
| SCHEMBL18191762 | 0.76 | ALDH1A1 (0.48) | MAPTLMNANPSR1KDM4ENPC1 | |
| SCHEMBL6873626 | 0.76 | DHODH (0.38) | TRPA1NFE2L2DHODH | |
| SCHEMBL1034985 | 0.75 | TRPA1 (0.58) | TRPA1MAPTLMNANFKB1CDK4 | |
| SCHEMBL1876846 | 0.75 | TRPA1 (0.58) | TRPA1MAPTLMNANFKB1CDK4 | |
| SCHEMBL29602135 | 0.75 | TRPA1 (0.58) | TRPA1MAPTLMNANFKB1CDK4 |
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-2019137381-A1 | PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF | XW LABORATORIES, INC. (CN) | 2019-07-18 | — | — | WO | disclosed |