Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.35 |
| ▸ | CDK9 | P50750 | 3/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.33 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29956460 | 0.86 | KMT2A (0.47) | KMT2ACYP2A6CCR1CCR5CCR8 | |
| SCHEMBL29957196 | 0.84 | KMT2A (0.56) | KMT2ACYP2A6CCR1CCR5CCR8 | |
| SCHEMBL17843962 | 0.79 | KMT2A (0.51) | KMT2ACYP2A6CCR1CCR5CCR8 | |
| SCHEMBL857522 | 0.79 | LRRK2 (0.53) | KMT2ACYP2A6CCR1CCR5CCR8 | |
| SCHEMBL29958099 | 0.79 | KMT2A (0.51) | KMT2ACYP2A6CCR1CCR5CCR8 | |
| SCHEMBL29952362 | 0.79 | KMT2A (0.51) | KMT2ACYP2A6CCR1CCR5CCR8 | |
| SCHEMBL672053 | 0.79 | CYP2A6 (0.51) | KMT2ACYP2A6CCR1CCR5CCR8 | |
| SCHEMBL4530465 | 0.79 | LRRK2 (0.53) | KMT2ACYP2A6CCR1CCR5CCR8 | |
| SCHEMBL20757818 | 0.77 | KMT2A (0.49) | KMT2ACYP2A6CCR1CCR5CCR8 | |
| SCHEMBL29952338 | 0.76 | LRRK2 (0.53) | KMT2ALRRK2ROCK2ROCK1CDC42BPA |
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 |