Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29051447 | 0.80 | LMNA (0.47) | GAALMNAKDM4EIDH1ALDH1A1 | |
| SCHEMBL27817956 | 0.76 | KMT2A (0.43) | GAALMNAKDM4EIDH1ALDH1A1 | |
| SCHEMBL9311795 | 0.75 | LMNA (0.52) | GAALMNAKDM4ECYP2C19ALDH1A1 | |
| SCHEMBL81547 | 0.75 | LMNA (1.00) | GAALMNAALDH1A1HPGDMAOB | |
| SCHEMBL25349664 | 0.73 | GAA (0.45) | GAALMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL6440472 | 0.69 | CALM1 (0.44) | GAALMNAKDM4ECYP2C19CYP3A4 | |
| SCHEMBL5316167 | 0.68 | IDH1 (0.46) | GAALMNAKDM4ECYP2C9IDH1 | |
| SCHEMBL28555528 | 0.68 | LMNA (0.41) | GAALMNAIDH1MAOBKMT2A | |
| SCHEMBL28313729 | 0.67 | CALM1 (0.58) | GAALMNAKDM4ECYP3A4IDH1 | |
| SCHEMBL11856239 | 0.67 | KMT2A (0.51) | GAALMNAKDM4ECYP2C19IDH1 |
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-112521331-B | Pyridone-alkynylamine modified derivative and preparation method and application thereof | 浙江工业大学 | 2022-07-19 | — | — | CN | disclosed |
| CN-112521331-A | Pyridone-alkynylamine modified derivative and preparation method and application thereof | 浙江工业大学 | 2021-03-19 | — | — | CN | disclosed |
| WO-2013153535-A1 | TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2013-10-17 | — | — | WO | disclosed |