Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 5/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL21962341 | 1.00 | VNN1 (0.44) | VNN1NTRK1NR3C2NR1H2NR1H3 | |
| SCHEMBL21962682 | 0.92 | NR1H2 (0.39) | NR1H2NR1H3MLYCDSCN9AROCK2 | |
| SCHEMBL22019320 | 0.92 | NR1H2 (0.39) | NR1H2NR1H3MLYCDSCN9AROCK2 | |
| SCHEMBL22019317 | 0.89 | CPT2 (0.39) | NR1H2NR1H3MLYCD | |
| SCHEMBL21962690 | 0.89 | CPT2 (0.39) | NR1H2NR1H3MLYCD | |
| SCHEMBL21962626 | 0.87 | VNN1 (0.42) | VNN1TRPA1SCN9A | |
| SCHEMBL22019319 | 0.87 | VNN1 (0.42) | VNN1TRPA1SCN9A | |
| SCHEMBL21962448 | 0.84 | KRAS (0.41) | VNN1HDAC8HDAC6MLYCDROCK2 | |
| SCHEMBL22019151 | 0.84 | KRAS (0.41) | VNN1HDAC8HDAC6MLYCDROCK2 | |
| SCHEMBL22020078 | 0.82 | VNN1 (0.39) | VNN1MLYCD |
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-2020102575-A1 | HETEROCYCLIC AMINOTHIAZOLES AND USES THEREOF | INCEPTION IBD, INC. (US) | 2020-05-22 | — | — | WO | disclosed |