Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.32 |
| ▸ | NPC1 | O15118 | 5/20 | 0.32 |
| ▸ | RAB9A | P51151 | 5/20 | 0.32 |
| ▸ | MEN1 | O00255 | 5/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1487087 | 0.81 | NOS1 (0.50) | NOS1ALDH1A1CYP1A2HRH2HRH1 | |
| SCHEMBL21993160 | 0.79 | GAA (0.34) | ALDH1A1GAASMN1; SMN2LMNATDP1 | |
| SCHEMBL25854527 | 0.79 | GAA (0.34) | ALDH1A1GAASMN1; SMN2LMNATDP1 | |
| SCHEMBL25855355 | 0.79 | GAA (0.34) | ALDH1A1GAASMN1; SMN2LMNATDP1 | |
| SCHEMBL761873 | 0.78 | NOS1 (0.46) | NOS1ALDH1A1CYP1A2HRH2HRH1 | |
| SCHEMBL4102262 | 0.78 | NOS1 (0.46) | NOS1ALDH1A1CYP1A2HRH2HRH1 | |
| SCHEMBL7026517 | 0.78 | NOS1 (0.46) | NOS1ALDH1A1CYP1A2HRH2HRH1 | |
| Hydrochloric Acid SCHEMBL28123980 | 0.76 | NOS1 (0.45) | NOS1ALDH1A1CYP1A2HRH2HRH1 | |
| SCHEMBL20904183 | 0.73 | — | — | |
| SCHEMBL24499792 | 0.73 | CNR1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022090409-A1 | DEUTERATED AMINOTHIAZOLE COMPOUNDS AS ANTIVIRAL COMPOUNDS | INNOVATIVE MOLECULES GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |