Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18567683 | 0.82 | CES2 (0.50) | CES2CES1MEN1KMT2AMAPT | |
| SCHEMBL8181697 | 0.82 | ESR1 (0.50) | CES2CES1ESR1ESR2MGLL | |
| SCHEMBL8221493 | 0.82 | ESR1 (0.50) | CES2CES1ESR1ESR2MGLL | |
| SCHEMBL13636405 | 0.82 | ESR1 (0.46) | CES2CES1ESR1ESR2MGLL | |
| SCHEMBL30690133 | 0.82 | ESR1 (0.50) | CES2CES1ESR1ESR2MGLL | |
| SCHEMBL1345659 | 0.80 | MEN1 (0.43) | CES2CES1ESR1ESR2MGLL | |
| SCHEMBL1345658 | 0.80 | MEN1 (0.43) | CES2CES1ESR1ESR2MGLL | |
| SCHEMBL28905087 | 0.80 | DGAT1 (0.52) | ESR1ESR2MGLLMEN1KMT2A | |
| SCHEMBL15761173 | 0.79 | CES2 (0.47) | CES2CES1ESR1ESR2MGLL | |
| SCHEMBL6814924 | 0.79 | CES2 (0.47) | CES2CES1MEN1KMT2AMAPT |
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-3587412-B1 | FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES INC (US) | 2022-05-25 | — | — | EP | disclosed |