Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL274030 | 0.88 | NR1H4 (0.67) | NR1H4POLBCDK4CCND1MAPK10 | |
| SCHEMBL275209 | 0.85 | NR1H4 (0.61) | NR1H4POLBNPC1RAB9ACDK4 | |
| SCHEMBL274982 | 0.84 | NR1H4 (0.67) | NR1H4POLBCDK4CCND1ABCB1 | |
| SCHEMBL273355 | 0.83 | NR1H4 (0.66) | NR1H4POLBCDK4CCND1ALDH1A1 | |
| SCHEMBL274805 | 0.83 | NR1H4 (0.71) | NR1H4POLBNPC1RAB9ACDK4 | |
| SCHEMBL274562 | 0.82 | NR1H4 (0.65) | NR1H4POLBCDK4CCND1KMT2A | |
| SCHEMBL273556 | 0.82 | NR1H4 (0.70) | NR1H4POLBCDK4CCND1ABCB1 | |
| SCHEMBL274194 | 0.82 | NR1H4 (0.65) | NR1H4POLBCDK4CCND1MEN1 | |
| SCHEMBL279155 | 0.82 | NR1H4 (0.71) | NR1H4POLBCDK4CCND1KDM4E | |
| SCHEMBL274237 | 0.82 | NR1H4 (0.69) | NR1H4POLBCDK4CCND1KDM4E |
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 2 patents. 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 |
| EP-1532153-B1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X CEPTOR THERAPEUTICS INC (US) | 2012-02-29 | — | — | EP | disclosed |