Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
| ▸ | LATS1 | O95835 | 1/20 | 0.31 |
| ▸ | CKS1B | P61024 | 1/20 | 0.31 |
| ▸ | SKP1 | P63208 | 1/20 | 0.31 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL23958956 | 0.94 | CFTR (0.41) | CFTRMAPTAAK1PDE3BPDE3A | |
| SCHEMBL23958697 | 0.83 | CFTR (0.44) | CFTRPDE3BPDE3AGRM2CACNA1H | |
| SCHEMBL23958701 | 0.81 | CFTR (0.40) | CFTRTRPV1GRM2LATS1 | |
| SCHEMBL30471176 | 0.81 | CFTR (0.40) | CFTRTRPV1GRM2LATS1 | |
| SCHEMBL25686644 | 0.80 | CFTR (0.39) | CFTRTRPV1GRM2LATS1 | |
| SCHEMBL30471272 | 0.79 | GABRA5 (0.36) | CFTRTRPV1AAK1PDE3BPDE3A | |
| SCHEMBL25686708 | 0.79 | GABRA5 (0.36) | CFTRTRPV1AAK1PDE3BPDE3A | |
| SCHEMBL25686690 | 0.79 | GABRA5 (0.36) | CFTRTRPV1AAK1PDE3BPDE3A | |
| SCHEMBL23958881 | 0.79 | CFTR (0.41) | CFTRMAPTTRPV1GRM2 | |
| SCHEMBL25686536 | 0.79 | CFTR (0.42) | CFTRTRPV1AAK1GRM2CACNA1H |
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-2021214136-A1 | RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2021-10-28 | — | — | WO | disclosed |