Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 4/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 4/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14872350 | 0.82 | CYP2A6 (0.42) | AOC1AOC3CCNT1CDK9HASPIN | |
| SCHEMBL31068616 | 0.82 | CYP2A6 (0.42) | AOC1AOC3CCNT1CDK9HASPIN | |
| SCHEMBL29951676 | 0.77 | CYP2E1 (0.44) | AOC1AOC3CCNT1CDK9HASPIN | |
| SCHEMBL2562670 | 0.77 | IMPDH2 (0.38) | AOC1AOC3CCNT1CDK9HASPIN | |
| SCHEMBL250163 | 0.74 | TDP1 (0.39) | CYP2A6SMN1; SMN2MEN1LMNAKMT2A | |
| SCHEMBL3102369 | 0.73 | AOC1 (0.43) | AOC1AOC3LOXL2CYP2A6CYP2E1 | |
| SCHEMBL2600757 | 0.73 | KMT2A (0.46) | CCNT1CDK9HASPINERN1CYP2A6 | |
| SCHEMBL29955436 | 0.73 | KMT2A (0.46) | CCNT1CDK9HASPINERN1CYP2A6 | |
| SCHEMBL4564968 | 0.73 | TDP1 (0.45) | CYP2A6SMN1; SMN2LMNATDP1CYP2E1 | |
| SCHEMBL844320 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |