Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 9/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL687997 | 0.95 | NR1H4 (0.53) | NR1H4HPGDALDH1A1ELANEKMT2A | |
| SCHEMBL689096 | 0.90 | CYP3A4 (0.45) | NR1H4HPGDALDH1A1ELANEKMT2A | |
| SCHEMBL274043 | 0.86 | NR1H4 (0.72) | NR1H4HPGDALDH1A1ELANEKMT2A | |
| SCHEMBL274013 | 0.82 | NR1H4 (0.73) | NR1H4HPGDALDH1A1ELANETSHR | |
| SCHEMBL275401 | 0.81 | NR1H4 (0.72) | NR1H4HPGDALDH1A1ELANEKMT2A | |
| SCHEMBL274819 | 0.80 | NR1H4 (0.70) | NR1H4HPGDALDH1A1ELANEKMT2A | |
| SCHEMBL274076 | 0.80 | NR1H4 (0.52) | NR1H4HPGDALDH1A1KMT2ATSHR | |
| SCHEMBL273803 | 0.78 | NR1H4 (0.72) | NR1H4 | |
| SCHEMBL275310 | 0.77 | NR1H4 (0.68) | NR1H4HPGDALDH1A1ELANEKMT2A | |
| SCHEMBL275558 | 0.77 | NR1H4 (0.58) | NR1H4HPGDALDH1A1ELANEKMT2A |
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 |