Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.42 |
| ▸ | SYK | P43405 | 2/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | LOX | P28300 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 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 | |
|---|---|---|---|---|
| SCHEMBL345262 | 1.00 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1ADRB1KDM4EHSD17B10 | |
| Hydrochloric Acid SCHEMBL31336789 | 0.98 | LOXL2 (0.44) | HSP90AA1HSP90AB1ADRB1KDM4EHSD17B10 | |
| SCHEMBL29310180 | 0.78 | NUDT1 (0.44) | HSP90AA1LOXL2HRH4AURKAPRKACA | |
| SCHEMBL179501 | 0.77 | NUDT1 (0.48) | HSP90AA1HSD17B10SYKHRH4AURKA | |
| SCHEMBL17420494 | 0.77 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1HSD17B10HRH4AURKA | |
| SCHEMBL3295825 | 0.74 | MALT1 (0.47) | ADRB1LOXL2SYKLOX | |
| SCHEMBL27285543 | 0.74 | ADRB1 (0.44) | ADRB1LOXL2SYKLOX | |
| SCHEMBL31728177 | 0.74 | NUDT1 (0.46) | HSP90AA1HRH4AURKAPRKACAADORA2A | |
| SCHEMBL2036623 | 0.74 | SYK (0.43) | SYK | |
| SCHEMBL1968808 | 0.73 | ADRB1 (0.43) | ADRB1LOXL2SYKLOX |
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-118251381-A | Deuterated (trifluoromethyl) pyrimidin-2-amine compounds as enhancers of HMRGX's 1 receptor | 伊莱利利公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-110563709-B | Pyrimidine compounds and application thereof as TRPV2 inhibitor | 中国科学院上海药物研究所 | 2023-01-24 | — | — | CN | disclosed |