Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | DHFR | P00374 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28699866 | 0.92 | DHFR (0.50) | NPC1RAB9AMAPTCYP1A2CYP2C9 | |
| SCHEMBL5743624 | 0.75 | SMPD3 (0.53) | SMPD3DHFRPDE10AHRH3 | |
| SCHEMBL29671509 | 0.74 | NPC1 (0.46) | NPC1RAB9AMAPTCYP1A2CYP2C9 | |
| SCHEMBL18674597 | 0.74 | RAB9A (0.84) | NPC1RAB9AMAPTCYP1A2CYP2C9 | |
| SCHEMBL25394959 | 0.74 | NPC1 (0.46) | NPC1RAB9AMAPTCYP1A2CYP2C9 | |
| SCHEMBL25393063 | 0.74 | NPC1 (0.46) | NPC1RAB9AMAPTCYP1A2CYP2C9 | |
| SCHEMBL25393059 | 0.74 | NPC1 (0.46) | NPC1RAB9AMAPTCYP1A2CYP2C9 | |
| SCHEMBL28681893 | 0.73 | MAPT (0.50) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL5790892 | 0.73 | HRH4 (0.59) | MAPTSMN1; SMN2SMPD3DHFRHRH3 | |
| SCHEMBL22334971 | 0.72 | RAB9A (0.62) | NPC1RAB9AMAPTCYP1A2CYP2C9 |
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-113993587-A | Thiazole derivatives as protein secretion inhibitors | 科智生命科学公司 | 2022-01-28 | — | — | CN | disclosed |