Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28690827 | 0.92 | NPC1 (0.53) | DHFRMAPTNPC1RAB9ACYP1A2 | |
| SCHEMBL28681893 | 0.78 | MAPT (0.50) | DHFRMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22616984 | 0.73 | HRH3 (0.66) | DHFRSMPD3CCNT1 | |
| SCHEMBL5743990 | 0.73 | DHFR (0.53) | DHFRMAPTSMPD3LMNATSHR | |
| SCHEMBL18654422 | 0.73 | HRH4 (0.43) | CYP1A2SMN1; SMN2KMT2AALDH1A1LMNA | |
| SCHEMBL29671544 | 0.73 | DHFR (0.46) | DHFRMAPTNPC1RAB9ACYP1A2 | |
| Hydrochloric Acid SCHEMBL5743802 | 0.72 | DHFR (0.52) | DHFRMAPTSMPD3LMNATSHR | |
| SCHEMBL18674660 | 0.72 | MAPT (0.77) | MAPTNPC1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL28683225 | 0.72 | SMN1; SMN2 (0.44) | RAB9ACYP1A2SMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL2393500 | 0.72 | DHFR (0.55) | DHFRMAPTSMPD3MLYCDMAPK1 |
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 |