Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.39 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 2/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PKLR | P30613 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19202590 | 0.91 | NR1H4 (0.46) | PIK3CAHRH3NR1H4HSD17B13KDM5A | |
| SCHEMBL17843286 | 0.83 | HRH3 (0.43) | PIK3CAHRH3NR1H4HSD17B13KDM5A | |
| SCHEMBL30775154 | 0.82 | NR1H4 (0.54) | PIK3CANR1H4HSD17B13KDM5AKDM5B | |
| SCHEMBL29216000 | 0.82 | NR1H4 (0.54) | PIK3CANR1H4HSD17B13KDM5AKDM5B | |
| SCHEMBL30775168 | 0.75 | NR1H4 (0.51) | NR1H4 | |
| SCHEMBL19689515 | 0.75 | NR1H4 (0.51) | NR1H4 | |
| SCHEMBL19202535 | 0.74 | NR1H4 (0.44) | NR1H4ALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL19698945 | 0.74 | CA12 (0.38) | — | |
| SCHEMBL19202532 | 0.74 | NR1H4 (0.47) | NR1H4ALDH1A1CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL19202591 | 0.73 | NR1H4 (0.45) | PIK3CAHRH3NR1H4HSD17B13KDM5A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107108595-B | Novel FXR (NR1H4) modulating compounds | 吉利德科学公司 | 2021-04-06 | — | — | CN | disclosed |
| EP-3233831-B1 | NOVEL FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES INC (US) | 2019-02-20 | — | — | EP | disclosed |
| EP-3233831-B1 | NOVEL FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES INC (US) | 2019-02-20 | — | — | EP | disclosed |
| EP-3233831-A1 | NOVEL FXR (NR1H4) MODULATING COMPOUNDS | Gilead Sciences, Inc. (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016096116-A1 | NOVEL FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2016-06-23 | — | — | WO | disclosed |
| WO-2016096116-A1 | NOVEL FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2016-06-23 | — | — | WO | disclosed |