Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 15/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | GPX4 | P36969 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24259004 | 0.85 | NR1H4 (0.44) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL24259536 | 0.79 | NR1H4 (0.32) | NR1H4 | |
| SCHEMBL24259156 | 0.78 | MAPT (0.34) | NR1H4MAPT | |
| SCHEMBL22354051 | 0.75 | NR1H4 (0.31) | NR1H4 | |
| SCHEMBL24258927 | 0.74 | MAPT (0.34) | NR1H4NR1I2CYP2C9CYP2C19TP53 | |
| SCHEMBL22353548 | 0.73 | MAPT (0.33) | NR1H4MAPT | |
| SCHEMBL22353497 | 0.73 | AKR1C4 (0.34) | NR1H4NR1I2CYP2C9CYP2C19MAPT | |
| SCHEMBL24259395 | 0.70 | NR1H4 (0.51) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL24259582 | 0.69 | MAPT (0.35) | NR1H4TP53GPX4NPC1ALDH1A1 | |
| SCHEMBL22354229 | 0.69 | TP53 (0.33) | NR1H4TP53MAPT |
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-2020168143-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-20 | — | — | WO | disclosed |