Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.30 |
| ▸ | MEN1 | O00255 | 3/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL162091 | 0.76 | HPGD (0.41) | MAPTGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL28079252 | 0.70 | HCAR2 (0.32) | — | |
| SCHEMBL28038521 | 0.70 | HPGD (0.33) | — | |
| SCHEMBL23534328 | 0.69 | ESR1 (0.49) | MAPTALDH1A1TDP1SMN1; SMN2KDM4E | |
| Butyl Formate SCHEMBL29688477 | 0.67 | ATM (0.42) | ALDH1A1SMN1; SMN2 | |
| Butyl Formate SCHEMBL5847 | 0.67 | — | — | |
| SCHEMBL10399847 | 0.66 | HCAR2 (0.54) | ALDH1A1 | |
| Butyl Formate SCHEMBL27315053 | 0.65 | LTA4H (0.39) | ALDH1A1TDP1 | |
| Butyl Formate SCHEMBL3206729 | 0.65 | — | — | |
| Butyl Formate SCHEMBL6599284 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110256350-B | Pyrazole ligand, zero-dimensional functional complex, preparation method and application thereof | 郑州大学 | 2022-10-11 | — | — | CN | claimed |
| CN-110256350-A | A kind of novel pyrazole ligand, zero dimension functional complexes, preparation method and applications | 郑州大学 | 2019-09-20 | — | — | CN | claimed |
| CN-110256350-B | Pyrazole ligand, zero-dimensional functional complex, preparation method and application thereof | 郑州大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-110280153-A | A kind of mixed substrate membrane containing nano-grade molecular sieve and preparation method thereof efficiently separated for propylene/propane | 郑州大学 | 2019-09-27 | — | — | CN | disclosed |
| CN-110256350-A | A kind of novel pyrazole ligand, zero dimension functional complexes, preparation method and applications | 郑州大学 | 2019-09-20 | — | — | CN | disclosed |