Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.49 |
| ▸ | CDK4 | P11802 | 2/20 | 0.47 |
| ▸ | CCND1 | P24385 | 2/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 8/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL275044 | 0.90 | NR1H4 (0.65) | NR1H4CDK4CCND1ABCG2ABCB1 | |
| SCHEMBL273929 | 0.88 | NR1H4 (0.61) | NR1H4CDK4CCND1ABCG2ABCB1 | |
| SCHEMBL274121 | 0.85 | NR1H4 (0.65) | NR1H4CDK4CCND1ABCG2ABCB1 | |
| SCHEMBL6468188 | 0.82 | TP53 (0.47) | NR1H4CDK4CCND1ABCG2ABCB1 | |
| SCHEMBL274535 | 0.82 | NR1H4 (0.69) | NR1H4ABCG2KDM4ENPC1ALDH1A1 | |
| SCHEMBL272586 | 0.82 | NR1H4 (0.61) | NR1H4CDK4CCND1ABCG2ABCB1 | |
| SCHEMBL275249 | 0.81 | NR1H4 (0.61) | NR1H4CDK4CCND1ABCG2ABCB1 | |
| SCHEMBL274679 | 0.81 | NR1H4 (0.73) | NR1H4CDK4CCND1KDM4EALDH1A1 | |
| SCHEMBL274144 | 0.81 | NR1H4 (0.62) | NR1H4CDK4CCND1ALDH1A1TP53 | |
| SCHEMBL274708 | 0.81 | NR1H4 (0.56) | NR1H4CDK4CCND1ABCG2ABCB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1692136-A2 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X-Ceptor Therapeutics, Inc. (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005056554-A2 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2005-06-23 | — | — | WO | disclosed |
| EP-1532153-A1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X-Ceptor Therapeutics, Inc. (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2003099821-A1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X-CEPTOR THERAPEUTICS, INC. (US) | 2003-12-04 | — | — | WO | disclosed |