Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.63 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL688141 | 0.87 | NR1H4 (0.57) | NR1H4CDK4CCND1POLBABCB1 | |
| SCHEMBL689085 | 0.86 | NR1H4 (0.61) | NR1H4CDK4CCND1POLBABCB1 | |
| SCHEMBL274805 | 0.85 | NR1H4 (0.71) | NR1H4CDK4CCND1POLBABCB1 | |
| SCHEMBL689005 | 0.84 | NR1H4 (0.57) | NR1H4CDK4CCND1POLBABCB1 | |
| SCHEMBL687830 | 0.82 | NR1H4 (0.56) | NR1H4CDK4CCND1POLBABCB1 | |
| SCHEMBL687653 | 0.82 | NR1H4 (0.56) | NR1H4CDK4CCND1POLBABCB1 | |
| SCHEMBL274237 | 0.78 | NR1H4 (0.69) | NR1H4CDK4CCND1POLBABCB1 | |
| SCHEMBL274682 | 0.78 | NR1H4 (0.80) | NR1H4CDK4CCND1POLBABCB1 | |
| SCHEMBL273220 | 0.78 | NR1H4 (1.00) | NR1H4CDK4CCND1POLBABCB1 | |
| SCHEMBL273962 | 0.77 | NR1H4 (1.00) | NR1H4CDK4CCND1POLBABCB1 |
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-1532153-B1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X CEPTOR THERAPEUTICS INC (US) | 2012-02-29 | — | — | EP | claimed |