Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27185413 | 0.86 | TSHR (0.47) | TSHRCDC7DBF4ALDH1A1MEN1 | |
| SCHEMBL28930016 | 0.84 | TSHR (0.45) | TSHRCDC7DBF4ALDH1A1MEN1 | |
| SCHEMBL30465534 | 0.83 | KDM4E (0.54) | TSHRALDH1A1KMT2ACASP1HSD17B10 | |
| SCHEMBL22216857 | 0.83 | KDM4E (0.54) | TSHRALDH1A1KMT2ACASP1HSD17B10 | |
| SCHEMBL29837473 | 0.80 | TSHR (0.60) | TSHRCDC7DBF4ALDH1A1MEN1 | |
| SCHEMBL3515887 | 0.80 | TSHR (0.60) | TSHRCDC7DBF4ALDH1A1MEN1 | |
| SCHEMBL6386142 | 0.79 | TSHR (0.47) | TSHRALDH1A1TP53CASP1NPSR1 | |
| SCHEMBL6386138 | 0.79 | TSHR (0.47) | TSHRALDH1A1TP53CASP1NPSR1 | |
| SCHEMBL907851 | 0.79 | SIRT3 (0.58) | TSHRCDC7DBF4ALDH1A1MEN1 | |
| SCHEMBL29570949 | 0.79 | SIRT3 (0.58) | TSHRCDC7DBF4ALDH1A1MEN1 |
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-113939292-A | Inhibitors of BTK and mutants thereof | 广州麓鹏制药有限公司 | 2022-01-14 | — | — | CN | disclosed |