Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28343167 | 0.82 | CYP1A2 (0.43) | ALDH1A1TAAR1FFAR1TDP1 | |
| SCHEMBL28345908 | 0.82 | SMN1; SMN2 (0.44) | ALDH1A1TAAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1602027 | 0.80 | KEAP1 (0.54) | ALDH1A1MAPTKEAP1FFAR1CTSL | |
| SCHEMBL28345919 | 0.80 | TAAR1 (0.50) | ALDH1A1KMT2AMAPTTAAR1RAB9A | |
| SCHEMBL9870759 | 0.78 | MGLL (0.47) | ALDH1A1KMT2AMAPTTAAR1AOC3 | |
| SCHEMBL28499656 | 0.78 | SIGMAR1 (0.54) | ALDH1A1FFAR1 | |
| SCHEMBL28346001 | 0.78 | TAAR1 (0.57) | TAAR1AOC3CTSL | |
| SCHEMBL28343161 | 0.78 | TAAR1 (0.57) | ALDH1A1KMT2AMAPTTAAR1FFAR1 | |
| SCHEMBL28343168 | 0.78 | TAAR1 (0.57) | KMT2ATAAR1FFAR1CTSL | |
| SCHEMBL28345957 | 0.77 | KCNH2 (0.50) | — |
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-110590627-B | Synthesis method of 3-aryl thiopropionamide derivative | 温州大学 | 2022-01-14 | — | — | CN | disclosed |
| CN-110590627-A | Synthesis method of 3-aryl thiopropionamide derivative | 温州大学 | 2019-12-20 | — | — | CN | disclosed |