Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | MDM4 | O15151 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11900787 | 0.80 | NPC1 (0.66) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7545166 | 0.78 | NPC1 (0.71) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29124158 | 0.76 | CYP1A2 (0.59) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4642544 | 0.76 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30184438 | 0.76 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1663054 | 0.74 | KCNK3 (0.59) | NPC1RAB9AKMT2AMEN1PKM | |
| SCHEMBL11900392 | 0.72 | NPC1 (0.71) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL777051 | 0.72 | NPC1 (0.54) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29124098 | 0.72 | NPC1 (0.62) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2747077 | 0.72 | NPC1 (0.71) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 |
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-110218137-B | Synthetic method of anthranilic aldehyde compound | 上海交通大学 | 2021-01-22 | — | — | CN | disclosed |