Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Trepibutone SCHEMBL29441541 | 0.83 | TSHR (0.61) | TSHRCYP3A4HSD17B10HTTNPC1 | |
| Trepibutone SCHEMBL25039 | 0.83 | TSHR (0.61) | TSHRCYP3A4HSD17B10HTTNPC1 | |
| SCHEMBL24651298 | 0.81 | TSHR (0.51) | TSHRCYP3A4HSD17B10NPC1MAPK1 | |
| SCHEMBL24651015 | 0.78 | TSHR (0.48) | TSHRCYP3A4HSD17B10NPC1BRD4 | |
| SCHEMBL24650983 | 0.77 | TSHR (0.47) | TSHRCYP3A4HSD17B10NPC1MAPK1 | |
| SCHEMBL11683269 | 0.76 | TSHR (0.51) | TSHRCYP3A4HSD17B10HTTMAPK1 | |
| SCHEMBL24650979 | 0.76 | HCAR2 (0.43) | TSHRCYP3A4HSD17B10ATMKDM4E | |
| SCHEMBL24651302 | 0.75 | TSHR (0.44) | TSHRCYP3A4HSD17B10NPC1MAPK1 | |
| SCHEMBL24651299 | 0.74 | TSHR (0.43) | TSHRCYP3A4HSD17B10NPC1MAPK1 | |
| SCHEMBL24650984 | 0.72 | TSHR (0.42) | TSHRCYP3A4HSD17B10MAPK1ATM |
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-2022250569-A1 | NOVEL COMPOUND FOR TREATING BILIARY TRACT DISORDERS | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ВАЛЕНТА-ИНТЕЛЛЕКТ" | 2022-12-01 | — | — | WO | disclosed |