Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.66 |
| ▸ | RAB9A | P51151 | 3/20 | 0.66 |
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | PKM | P14618 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.63 |
| ▸ | FAAH | O00519 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.53 |
| ▸ | ELANE | P08246 | 1/20 | 0.49 |
| ▸ | IL6 | P05231 | 2/20 | 0.47 |
| ▸ | STAT3 | P40763 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14867049 | 0.81 | NPC1 (0.66) | NPC1RAB9AGAAALDH1A1PKM | |
| SCHEMBL13436713 | 0.81 | RAB9A (0.66) | NPC1RAB9AGAAALDH1A1PKM | |
| SCHEMBL3474865 | 0.81 | GAA (0.66) | NPC1RAB9AGAAALDH1A1PKM | |
| SCHEMBL1752742 | 0.81 | NPC1 (0.75) | NPC1RAB9AGAAALDH1A1PKM | |
| SCHEMBL2658434 | 0.80 | NPC1 (1.00) | NPC1RAB9AGAAALDH1A1PKM | |
| SCHEMBL1748093 | 0.79 | MAPT (0.61) | NPC1RAB9AALDH1A1SMN1; SMN2HDAC6 | |
| SCHEMBL3814734 | 0.79 | KCNH2 (0.53) | GAAHDAC6MEN1KMT2AIL6 | |
| SCHEMBL2894009 | 0.79 | HDAC6 (0.51) | NPC1RAB9AGAAALDH1A1PKM | |
| SCHEMBL18236217 | 0.78 | IL6 (0.67) | NPC1RAB9AGAAALDH1A1PKM | |
| SCHEMBL18410606 | 0.78 | NPC1 (0.60) | NPC1RAB9AGAAALDH1A1PKM |
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-114890952-B | Preparation method of 5-halogeno-2-aminobenzoazacyclic compound | 重庆医科大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-114890952-A | Preparation method of 5-halogenated-2-aminobenzene nitrogen heterocyclic compound | 重庆医科大学 | 2022-08-12 | — | — | CN | disclosed |