Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.40 |
| ▸ | ACLY | P53396 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29484301 | 0.83 | MAPK1 (0.49) | MAPK1NPC1ALDH1A1LMNAMEN1 | |
| SCHEMBL15266274 | 0.83 | MAPK1 (0.49) | MAPK1NPC1ALDH1A1LMNAMEN1 | |
| SCHEMBL621024 | 0.83 | MAPK1 (0.49) | MAPK1NPC1ALDH1A1LMNAMEN1 | |
| SCHEMBL10547713 | 0.83 | MAPK1 (0.49) | MAPK1NPC1ALDH1A1LMNAMEN1 | |
| SCHEMBL28293040 | 0.80 | KMT2A (0.40) | MAPK1NPC1ALDH1A1LMNAHTT | |
| SCHEMBL28294729 | 0.80 | MAPT (0.37) | MAPK1NPC1ALDH1A1LMNATP53 | |
| SCHEMBL4341886 | 0.77 | MAPK1 (0.67) | MAPK1NPC1ALDH1A1LMNAHTT | |
| SCHEMBL28425880 | 0.76 | MAPT (0.41) | MAPK1NPC1ALDH1A1LMNAMEN1 | |
| SCHEMBL30183430 | 0.76 | MAPK1 (0.49) | MAPK1NPC1ALDH1A1LMNAMEN1 | |
| SCHEMBL8662730 | 0.75 | NPC1 (0.42) | MAPK1NPC1ALDH1A1LMNATP53 |
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-108477173-A | Heterocyclic compound as insecticide | 拜耳农作物科学股份公司 | 2018-09-04 | — | — | CN | disclosed |
| CN-105101800-B | Heterocyclic Compounds as Pesticides | 拜耳农作物科学股份公司 | 2018-04-13 | — | — | CN | disclosed |
| CN-102171213-A | Pyrazolo [3, 4] pyrimidin-4-yl derivatives and their uses to treat diabetes and obesity | ASTRAZENECA AB | 2011-08-31 | — | — | CN | disclosed |
| EP-0772597-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996003385-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | disclosed |