Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24651302 | 0.85 | TSHR (0.44) | TSHRCYP3A4HSD17B10TNFRSF1AMAPK1 | |
| SCHEMBL24650983 | 0.84 | TSHR (0.47) | TSHRCYP3A4HSD17B10TNFRSF1AMAPK1 | |
| SCHEMBL24651298 | 0.79 | TSHR (0.51) | TSHRCYP3A4HSD17B10TNFRSF1AMAPK1 | |
| SCHEMBL24651015 | 0.76 | TSHR (0.48) | TSHRCYP3A4HSD17B10TNFRSF1AMAPK1 | |
| SCHEMBL24650979 | 0.74 | HCAR2 (0.43) | TSHRCYP3A4HSD17B10TNFRSF1AATM | |
| SCHEMBL24651299 | 0.74 | TSHR (0.43) | TSHRCYP3A4HSD17B10TNFRSF1AMAPK1 | |
| SCHEMBL24651215 | 0.72 | TSHR (0.43) | TSHRCYP3A4HSD17B10MAPK1ATM | |
| Trepibutone SCHEMBL29441541 | 0.70 | TSHR (0.61) | TSHRCYP3A4HSD17B10TNFRSF1APOLB | |
| Trepibutone SCHEMBL25039 | 0.70 | TSHR (0.61) | TSHRCYP3A4HSD17B10TNFRSF1APOLB | |
| SCHEMBL24651214 | 0.70 | TSHR (0.65) | TSHRCYP3A4HSD17B10TNFRSF1ATDP1 |
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 |