Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.66 |
| ▸ | CDK4 | P11802 | 5/20 | 0.46 |
| ▸ | CCND1 | P24385 | 5/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL274982 | 0.88 | NR1H4 (0.67) | NR1H4CDK4CCND1ABCB1ABCG2 | |
| SCHEMBL274030 | 0.88 | NR1H4 (0.67) | NR1H4CDK4CCND1ABCB1ABCG2 | |
| SCHEMBL274805 | 0.87 | NR1H4 (0.71) | NR1H4CDK4CCND1ABCB1ABCG2 | |
| SCHEMBL274194 | 0.86 | NR1H4 (0.65) | NR1H4CDK4CCND1ABCB1ABCG2 | |
| SCHEMBL274562 | 0.86 | NR1H4 (0.65) | NR1H4CDK4CCND1ABCB1ABCG2 | |
| SCHEMBL273556 | 0.86 | NR1H4 (0.70) | NR1H4CDK4CCND1ABCB1ABCG2 | |
| SCHEMBL279155 | 0.85 | NR1H4 (0.71) | NR1H4CDK4CCND1ABCB1ABCG2 | |
| SCHEMBL274237 | 0.85 | NR1H4 (0.69) | NR1H4CDK4CCND1ABCB1ABCG2 | |
| SCHEMBL274207 | 0.85 | NR1H4 (0.68) | NR1H4CDK4CCND1ABCB1ABCG2 | |
| SCHEMBL273911 | 0.85 | NR1H4 (0.65) | NR1H4CDK4CCND1ABCB1ABCG2 |
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-8133992-B2 | Azepinoindole and pyridoindole derivatives as pharmaceutical agents | EXELIXIS, INC. (US) | 2012-03-13 | — | — | US | disclosed |