Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.35 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL30434788 | 0.79 | KMT2A (0.40) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL14270969 | 0.75 | KMT2A (0.42) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL14294672 | 0.73 | CHRM2 (0.45) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL30435192 | 0.72 | KMT2A (0.40) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL11183619 | 0.71 | KMT2A (0.39) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL29009125 | 0.68 | TSHR (0.49) | NPC1RAB9AMAPTKMT2ASMN1; SMN2 | |
| SCHEMBL27254286 | 0.68 | DAGLA (0.38) | NPC1RAB9AMAPTALDH1A1HPGD | |
| SCHEMBL28101592 | 0.68 | L3MBTL1 (0.36) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL29009115 | 0.67 | TLR8 (0.51) | NPC1RAB9AMAPTKMT2ASMN1; SMN2 | |
| SCHEMBL31469575 | 0.66 | SOAT2 (0.40) | NPC1RAB9AMAPTKMT2ASMN1; SMN2 |
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-116178286-B | N (N)2Alkyl substituted triazole derivative and synthetic method and application thereof | 华东师范大学 | 2024-12-03 | — | — | CN | disclosed |
| CN-116178286-A | High-selectivity N 2 Alkyl substituted triazole derivative and synthetic method and application thereof | 华东师范大学 | 2023-05-30 | — | — | CN | disclosed |