Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL275490 | 0.87 | NR1H4 (0.65) | NR1H4ALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL272586 | 0.80 | NR1H4 (0.61) | NR1H4CYP1A1CYP1A2CYP1B1PKM | |
| SCHEMBL274792 | 0.77 | TRPV1 (0.57) | NR1H4CYP1A1CYP1A2CYP1B1PKM | |
| SCHEMBL29881430 | 0.76 | NR1H4 (0.73) | NR1H4POLBMTHFD2TRPV1ABCB1 | |
| SCHEMBL273500 | 0.76 | NR1H4 (0.73) | NR1H4POLBMTHFD2TRPV1ABCB1 | |
| SCHEMBL328174 | 0.75 | ACHE (0.47) | NR1H4CYP1A1CYP1A2CYP1B1PKM | |
| SCHEMBL692535 | 0.75 | TRPV1 (0.61) | NR1H4CYP1A2LMNACYP3A4POLB | |
| SCHEMBL274721 | 0.75 | NR1H4 (0.51) | NR1H4CYP1A1CYP1A2CYP1B1PKM | |
| SCHEMBL273838 | 0.74 | TRPV1 (0.52) | NR1H4CYP1A1CYP1A2CYP1B1KDM4E | |
| SCHEMBL5732202 | 0.74 | KDM4E (0.46) | NR1H4CYP1A1CYP1A2CYP1B1PKM |
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 |
|---|---|---|---|---|---|---|---|
| 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 |