Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.39 |
| ▸ | ACHE | P22303 | 6/20 | 0.39 |
| ▸ | BCHE | P06276 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11061904 | 1.00 | PTGS2 (0.39) | PTGS2ACHEBCHERAB9AALDH1A1 | |
| SCHEMBL1280729 | 0.80 | PTGS2 (0.38) | PTGS2ACHEBCHERAB9ANPC1 | |
| SCHEMBL5377796 | 0.78 | ESR1 (0.44) | PTGS2ACHEBCHE | |
| SCHEMBL11244312 | 0.76 | SLC6A2 (0.43) | PTGS2ACHEBCHEALDH1A1 | |
| SCHEMBL570123 | 0.76 | ACHE (0.38) | PTGS2ACHEBCHERAB9AALDH1A1 | |
| SCHEMBL508188 | 0.76 | PTGS2 (0.50) | PTGS2ACHEBCHERAB9AKMT2A | |
| SCHEMBL6394314 | 0.75 | PTGS2 (0.57) | PTGS2ACHEBCHERAB9ANPC1 | |
| SCHEMBL9721323 | 0.74 | PTGS2 (0.49) | PTGS2ACHEBCHERAB9AKMT2A | |
| SCHEMBL3141582 | 0.72 | IDO1 (0.43) | PTGS2ACHEBCHEALDH1A1 | |
| SCHEMBL31175995 | 0.72 | IDO1 (0.43) | PTGS2ACHEBCHEALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113387982-B | Methyl-modified cage-type phosphorus ligand, preparation method and application thereof | 东莞理工学院 | 2022-04-19 | — | — | CN | disclosed |