Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | STING1 | Q86WV6 | 3/20 | 0.47 |
| ▸ | HMGCR | P04035 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.41 |
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 | 0.92 | TSHR (0.61) | TSHRCYP3A4HTTALDH1A1MEN1 | |
| Trepibutone SCHEMBL25039 | 0.92 | TSHR (0.61) | TSHRCYP3A4HTTALDH1A1MEN1 | |
| SCHEMBL31113388 | 0.89 | HTT (0.53) | CYP3A4HTTSTING1HMGCRALDH1A1 | |
| SCHEMBL11833308 | 0.83 | HMGCR (0.49) | TSHRCYP3A4HTTSTING1HMGCR | |
| SCHEMBL11684059 | 0.79 | HMGCR (0.51) | TSHRCYP3A4HTTHMGCRALDH1A1 | |
| SCHEMBL4264883 | 0.79 | KMT2A (0.53) | TSHRCYP3A4HTTALDH1A1MEN1 | |
| SCHEMBL5190414 | 0.79 | HMGCR (0.67) | TSHRCYP3A4HTTSTING1HMGCR | |
| SCHEMBL24651214 | 0.78 | TSHR (0.65) | TSHRCYP3A4HMGCRALDH1A1HSD17B10 | |
| SCHEMBL24651215 | 0.76 | TSHR (0.43) | TSHRCYP3A4HTTALDH1A1MAPK1 | |
| SCHEMBL18309198 | 0.76 | TSHR (0.66) | TSHRCYP3A4ALDH1A1MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4029699-A | CHOLERETIC ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1977-06-14 | — | — | US | disclosed |
| US-4017517-A | SPASMOLYTIC, CHOLERETIC | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1977-04-12 | — | — | US | disclosed |
| US-3943169-A | DIURETIC, SPASMOLYTIC | TAKEDA CHEMICAL INDUSTRIES, LTD (JA) | 1976-03-09 | — | — | US | disclosed |