Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | RHOA | P61586 | 3/20 | 0.35 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.34 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.34 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22347990 | 0.87 | NR1H4 (0.50) | GLAMAPTKMT2AMEN1CYP2C9 | |
| SCHEMBL22347965 | 0.83 | GLA (0.43) | GLAMAPTKMT2AMEN1CYP2C9 | |
| SCHEMBL22348173 | 0.81 | NR1H4 (0.52) | CYP2C9NR1H4CYP2C19 | |
| SCHEMBL22348637 | 0.80 | NR1H4 (0.49) | GLAMAPTKMT2AMEN1CYP2C9 | |
| SCHEMBL22348042 | 0.80 | NR1H4 (0.49) | CYP2C9NR1H4CYP2C19 | |
| SCHEMBL29900958 | 0.75 | NR1H4 (0.46) | MAPTKMT2AALDH1A1NR1H4IP6K1 | |
| SCHEMBL22350196 | 0.75 | NR1H4 (0.46) | MAPTKMT2AALDH1A1NR1H4IP6K1 | |
| SCHEMBL22347743 | 0.74 | THRB (0.44) | GLAMAPTKMT2AMEN1ALDH1A1 | |
| SCHEMBL22348121 | 0.73 | NR1H4 (0.65) | CYP2C9NR1H4CYP2C19 | |
| SCHEMBL18641074 | 0.73 | GLA (0.42) | GLAMAPTKMT2AMEN1CYP2C9 |
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-3924329-A2 | SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2021-12-22 | — | — | EP | disclosed |
| WO-2020168152-A2 | SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-20 | — | — | WO | disclosed |