Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.44 |
| ▸ | BCL2 | P10415 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4682035 | 0.86 | PTGS2 (0.51) | PTGS2EPHX1BCL2TSHRMAPK1 | |
| SCHEMBL28252817 | 0.83 | ENPP2 (0.48) | EPHX1TSHRCYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL11077922 | 0.81 | ALDH1A1 (0.44) | PTGS2EPHX1BCL2TSHRMAPK1 | |
| SCHEMBL11080208 | 0.79 | EPHX1 (0.44) | PTGS2EPHX1BCL2TSHRMAPK1 | |
| SCHEMBL38659679 | 0.79 | PTGS2 (0.51) | PTGS2BCL2TDP1CTSBCYP2D6 | |
| SCHEMBL7556579 | 0.77 | EPHX1 (0.71) | PTGS2EPHX1BCL2CTSB | |
| SCHEMBL18242200 | 0.77 | PTGS2 (0.41) | PTGS2BCL2TSHRMAPK1TDP1 | |
| SCHEMBL2552458 | 0.76 | LMNA (0.53) | PTGS2BCL2TSHRMAPK1CTSB | |
| SCHEMBL2552459 | 0.76 | LMNA (0.53) | PTGS2BCL2TSHRMAPK1CTSB | |
| SCHEMBL3674499 | 0.76 | PTGS2 (0.69) | PTGS2BCL2TSHRMAPK1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026027-B | Substituted malonamide compounds and their use as antibacterial agents | 邱浩杰 | 2020-10-02 | — | — | CN | disclosed |
| EP-3331852-A1 | SUBSTITUTED MALONAMIDES AND THEIR USE AS ANTIBACTERIAL DRUGS | National Taiwan University (TW) | 2018-06-13 | — | — | EP | disclosed |
| WO-2017028745-A1 | SUBSTITUTED MALONAMIDES AND THEIR USE AS ANTIBACTERIAL DRUGS | SHIAU CHUNG-WAI (CN) | 2017-02-23 | — | — | WO | disclosed |