Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.62 |
| ▸ | IDO1 | P14902 | 1/20 | 0.58 |
| ▸ | TDO2 | P48775 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CTSD | P07339 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL954173 | 1.00 | NPC1 (0.62) | NPC1IDO1TDO2ALDH1A1KMT2A | |
| SCHEMBL3947925 | 0.88 | MEN1 (0.52) | NPC1IDO1TDO2ALDH1A1KMT2A | |
| SCHEMBL11339085 | 0.87 | HCRTR1 (0.58) | NPC1ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL447573 | 0.86 | NPC1 (0.70) | NPC1IDO1TDO2ALDH1A1KMT2A | |
| SCHEMBL3175398 | 0.86 | ABCB1 (0.48) | NPC1IDO1TDO2ALDH1A1KMT2A | |
| SCHEMBL2666954 | 0.86 | KDM4E (0.58) | NPC1IDO1TDO2ALDH1A1KMT2A | |
| SCHEMBL28280043 | 0.86 | TAS1R3 (0.53) | NPC1IDO1TDO2ALDH1A1KMT2A | |
| SCHEMBL4319748 | 0.86 | CTNNB1 (0.57) | NPC1IDO1TDO2ALDH1A1KMT2A | |
| SCHEMBL30038244 | 0.84 | CTSD (0.51) | NPC1IDO1TDO2ALDH1A1KMT2A | |
| SCHEMBL31039791 | 0.84 | NPC1 (0.59) | NPC1IDO1TDO2ALDH1A1KMT2A |
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-117069720-A | 5-HT 2A Receptor agonist, preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-114057666-B | Synthesis method of 4, 5-disubstituted-2-aminothiazole compound | 沈阳药科大学 | 2023-02-07 | — | — | CN | disclosed |