Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 8/20 | 0.39 |
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | CTSK | P43235 | 3/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | BMP1 | P13497 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28367565 | 1.00 | AAK1 (0.39) | AAK1CTSSCTSKPTGDR2NPC1 | |
| SCHEMBL25528806 | 0.81 | AAK1 (0.40) | AAK1CTSSCTSKNPC1ALDH1A1 | |
| SCHEMBL28511408 | 0.76 | AAK1 (0.39) | AAK1CTSSCTSKPTGDR2NPC1 | |
| SCHEMBL28513981 | 0.76 | AAK1 (0.41) | AAK1CTSSCTSKSSTR4BMP1 | |
| SCHEMBL22068822 | 0.74 | AAK1 (0.37) | AAK1CTSSCTSKPTGDR2CTSB | |
| SCHEMBL23567069 | 0.74 | CTSS (0.44) | CTSSCTSK | |
| SCHEMBL23567068 | 0.74 | CTSS (0.44) | CTSSCTSK | |
| SCHEMBL23467015 | 0.73 | CTSS (0.60) | CTSSCTSKMAPK1CTSBPPARG | |
| SCHEMBL22068770 | 0.72 | USP30 (0.36) | AAK1 | |
| SCHEMBL23544353 | 0.72 | SLC7A5 (0.38) | AAK1CTSSCTSKNPC1ALDH1A1 |
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-110835310-B | Intermediate, preparation method and application | 南京中硼联康医疗科技有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-110835352-B | Preparation method18Process for F-BPA | 南京中硼联康医疗科技有限公司 | 2022-05-24 | — | — | CN | disclosed |