Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.73 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.71 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.71 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.71 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.71 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | RORC | P51449 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6795782 | 0.91 | FFAR1 (0.67) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3729112 | 0.87 | NR1H4 (0.58) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL1017796 | 0.84 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL18132588 | 0.83 | FFAR1 (0.73) | NR1H4FFAR1ALDH1A1TP53CYP3A4 | |
| SCHEMBL6237411 | 0.83 | GAA (0.60) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL29598779 | 0.82 | CHRNB2 (0.96) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL10102771 | 0.82 | FFAR1 (0.71) | NR1H4FFAR1POLBTP53BCAT2 | |
| SCHEMBL27418913 | 0.81 | FFAR1 (0.59) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19142120 | 0.81 | CHRNB2 (0.64) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19141806 | 0.81 | CHRNB2 (0.64) | NR1H4CHRNB2CHRNB4CHRNA3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005009104-A2 | BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS | LIGAND PHARMACUETICALS INCORPORATED (US) | 2005-02-03 | — | — | WO | disclosed |