Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28407625 | 1.00 | SMYD3 (0.36) | SMYD3KMT2ATSHRNPSR1HPGD | |
| SCHEMBL28407299 | 0.80 | KMT2A (0.37) | SMYD3KMT2ATSHRNPSR1HPGD | |
| SCHEMBL28642320 | 0.77 | NPSR1 (0.51) | SMYD3KMT2ATSHRNPSR1HPGD | |
| SCHEMBL28398486 | 0.76 | LMNA (0.31) | TSHRMAPTLMNA | |
| SCHEMBL28873896 | 0.76 | HIF1A (0.36) | TSHRMAPTLMNA | |
| SCHEMBL28873895 | 0.76 | HIF1A (0.36) | TSHRMAPTLMNA | |
| SCHEMBL28398482 | 0.76 | LMNA (0.31) | TSHRMAPTLMNA | |
| SCHEMBL29053660 | 0.72 | SMYD3 (0.38) | SMYD3KMT2ATSHRNPSR1HPGD | |
| SCHEMBL24755220 | 0.72 | ARG1 (0.43) | SMYD3KMT2AEPHX1EPHX2PKM | |
| SCHEMBL20472993 | 0.72 | ARG1 (0.43) | SMYD3KMT2AEPHX1EPHX2PKM |
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-111225900-A | 3, 4-disubstituted 3-cyclobutene-1, 2-diones and their use | 阿勒根公司 | 2020-06-02 | — | — | CN | disclosed |