Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27032552 | 0.94 | TSHR (0.38) | TSHRCYP2C19CA1CA2CA9 | |
| SCHEMBL27130977 | 0.94 | L3MBTL1 (0.39) | TSHRCYP2C19SMN1; SMN2HTTCTSB | |
| SCHEMBL27032141 | 0.94 | L3MBTL1 (0.39) | TSHRCYP2C19SMN1; SMN2HTTCTSB | |
| SCHEMBL27130708 | 0.94 | TSHR (0.38) | TSHRCYP2C19CA1CA2CA9 | |
| SCHEMBL27745864 | 0.90 | L3MBTL1 (0.43) | TSHRCA1CA2CA9SMN1; SMN2 | |
| SCHEMBL17796120 | 0.84 | TSHR (0.45) | TSHRCA1CA2CA9SMN1; SMN2 | |
| SCHEMBL17796108 | 0.84 | TSHR (0.45) | TSHRCA1CA2CA9SMN1; SMN2 | |
| SCHEMBL17796111 | 0.84 | TSHR (0.45) | TSHRCA1CA2CA9SMN1; SMN2 | |
| SCHEMBL27029031 | 0.81 | HTT (0.42) | TSHRCYP2C19SMN1; SMN2HTTCTSB | |
| SCHEMBL27130395 | 0.81 | HTT (0.42) | TSHRCYP2C19SMN1; SMN2HTTCTSB |
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 |
|---|---|---|---|---|---|---|---|
| CN-118221532-A | Synthesis method of dobutamine hydrochloride | 上海现代哈森（商丘）药业有限公司 | 2024-06-21 | — | — | CN | disclosed |