Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL19314294 | 1.00 | TSHR (0.57) | TSHRCA1CA2L3MBTL1CA12 | |
| SCHEMBL6679628 | 1.00 | TSHR (0.57) | TSHRCA1CA2L3MBTL1CA12 | |
| SCHEMBL19355318 | 1.00 | TSHR (0.57) | TSHRCA1CA2L3MBTL1CA12 | |
| SCHEMBL8411618 | 0.89 | TSHR (0.47) | TSHRCA1CA2L3MBTL1CA12 | |
| SCHEMBL7710832 | 0.87 | TSHR (0.57) | TSHRL3MBTL1KDM4EATMNISCH | |
| SCHEMBL12188826 | 0.85 | L3MBTL1 (0.56) | TSHRL3MBTL1KDM4EATMNISCH | |
| SCHEMBL19122587 | 0.85 | L3MBTL1 (0.56) | TSHRL3MBTL1KDM4EATMNISCH | |
| SCHEMBL25454450 | 0.84 | TSHR (0.50) | TSHRCA1CA2L3MBTL1CA12 | |
| SCHEMBL19121850 | 0.83 | TSHR (0.53) | TSHRL3MBTL1KDM4EATMNISCH | |
| SCHEMBL190108 | 0.83 | TSHR (0.59) | TSHRL3MBTL1KDM4EATMNISCH |
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-112851479-B | Method for preparing chiral alkyl compound by catalyzing asymmetric hydrogenation reaction of olefin with iron complex catalyst | 浙江大学 | 2022-05-13 | — | — | CN | disclosed |