Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 16/20 | 0.71 |
| ▸ | RAB9A | P51151 | 16/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 10/20 | 0.71 |
| ▸ | NFKB1 | P19838 | 8/20 | 0.71 |
| ▸ | NFKB2 | Q00653 | 8/20 | 0.71 |
| ▸ | RELA | Q04206 | 8/20 | 0.71 |
| ▸ | POLB | P06746 | 3/20 | 0.71 |
| ▸ | MEN1 | O00255 | 2/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.71 |
| ▸ | CASP3 | P42574 | 1/20 | 0.71 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.71 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.71 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | TP53 | P04637 | 6/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3028273 | 0.76 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL6229393 | 0.76 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL3036898 | 0.75 | AR (0.58) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL11896022 | 0.75 | NPC1 (0.70) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL1673429 | 0.74 | BAZ2B (0.69) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9139676 | 0.73 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL7716976 | 0.73 | KMT2A (0.61) | NPC1RAB9ASMN1; SMN2POLBMEN1 | |
| SCHEMBL4024916 | 0.73 | RAB9A (0.57) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL3588562 | 0.73 | SMN1; SMN2 (0.66) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL10160826 | 0.72 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2POLBMEN1 |
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-108863892-B | Gallic acid methyl ester analogue containing amide structure and application thereof | 温州医科大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-108863892-A | A kind of gallicin analog of amide containing structure and application | 温州医科大学 | 2018-11-23 | — | — | CN | disclosed |