Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | AOC1 | P19801 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31456366 | 0.84 | AOC1 (0.39) | CYP17A1CYP11B1CYP11B2CYP1A2CYP2E1 | |
| SCHEMBL37676938 | 0.81 | TNF (0.40) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL3670639 | 0.81 | TNF (0.40) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL23674611 | 0.78 | CCNC (0.44) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL17807363 | 0.76 | GAA (0.38) | CYP2A6TNFCCNCCDK8SLC6A2 | |
| SCHEMBL27165746 | 0.76 | TNF (0.37) | TNFCCNCCDK8AOC1AOC3 | |
| SCHEMBL3074174 | 0.76 | HTT (0.42) | CYP11B1CYP11B2TNFCCNCCDK8 | |
| SCHEMBL11940513 | 0.74 | TNF (0.36) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL11940514 | 0.74 | TNF (0.36) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL30335585 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3604326-A1 | PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND | FUJIFILM Corporation (JP) | 2020-02-05 | — | — | EP | disclosed |