Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29183247 | 0.88 | CYP2C19 (0.48) | NR1H4LMNATP53CNR2 | |
| SCHEMBL6233097 | 0.88 | APLNR (0.53) | LMNAALDH1A1MAPTAPLNRCNR2 | |
| SCHEMBL20871882 | 0.83 | PYCR1 (0.47) | MEN1KMT2ALMNAALDH1A1MAPT | |
| SCHEMBL29183244 | 0.81 | CYP2C19 (0.61) | NPC1RAB9ANR1H4LMNAMAPT | |
| SCHEMBL24455917 | 0.81 | CYP2C19 (0.61) | LMNAALDH1A1MAPTAPLNRCNR2 | |
| SCHEMBL11776874 | 0.81 | CYP2C19 (0.61) | LMNAALDH1A1MAPTAPLNRCNR2 | |
| SCHEMBL20871881 | 0.80 | BMP1 (0.45) | MEN1KMT2ALMNAMAPTCNR2 | |
| SCHEMBL11775688 | 0.79 | CNR2 (0.59) | MEN1KMT2ALMNAALDH1A1TDP1 | |
| SCHEMBL31308090 | 0.79 | MEN1 (0.51) | MEN1NPC1RAB9AKMT2AL3MBTL1 | |
| SCHEMBL24455918 | 0.79 | TDP1 (0.57) | L3MBTL1LMNAALDH1A1MAPK1RECQL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117658851-A | Alpha-diimine ligand, alpha-diimine nickel coordination compound, preparation method and application | 合肥中科科乐新材料有限责任公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-117659237-A | Supported alpha-diimine nickel catalyst and preparation method and application thereof | 合肥中科科乐新材料有限责任公司 | 2024-03-08 | — | — | CN | disclosed |