Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734767 | 0.86 | TSHR (0.58) | TSHRCYP3A4KAT2BCA12CA1 | |
| SCHEMBL30908542 | 0.84 | TSHR (0.60) | TSHRCYP3A4KAT2BVCAM1MCOLN3 | |
| SCHEMBL15703077 | 0.84 | TSHR (0.60) | TSHRCYP3A4KAT2BVCAM1MCOLN3 | |
| SCHEMBL29769161 | 0.82 | TSHR (0.58) | TSHRCYP3A4KAT2BVCAM1MCOLN3 | |
| SCHEMBL7592333 | 0.82 | TSHR (0.58) | TSHRCYP3A4KAT2BCA1CA2 | |
| SCHEMBL139871 | 0.82 | TSHR (0.58) | TSHRCYP3A4KAT2BVCAM1MCOLN3 | |
| SCHEMBL20651236 | 0.80 | TSHR (0.60) | TSHRCYP3A4KAT2BALDH1A1VCAM1 | |
| SCHEMBL9440569 | 0.80 | GPR35 (0.56) | TSHRCYP3A4CA12CA1CA2 | |
| SCHEMBL283668 | 0.79 | TSHR (0.55) | TSHRCYP3A4KAT2BVCAM1MCOLN3 | |
| SCHEMBL2129919 | 0.79 | TSHR (0.56) | TSHRCA12CA1CA2CA9 |
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-114698370-A | Compounds and methods for treating cytokine release syndrome | 里格尔药品股份有限公司 | 2022-07-01 | — | — | CN | disclosed |