Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | ALPL | P05186 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6064007 | 0.84 | GAA (0.55) | SMN1; SMN2HPGDGAAALPLALOX12 | |
| SCHEMBL14703129 | 0.82 | NPC1 (0.68) | SMN1; SMN2GAAALOX12NPC1RAB9A | |
| SCHEMBL28881129 | 0.80 | ALDH1A1 (0.50) | SMN1; SMN2NPC1RAB9AIDO1ALDH1A1 | |
| SCHEMBL2524341 | 0.77 | HPGD (0.68) | HPGDGAARAB9AALDH1A1MAPT | |
| SCHEMBL13927622 | 0.76 | TDP1 (0.66) | SMN1; SMN2HPGDALOX12NPC1RAB9A | |
| SCHEMBL6266375 | 0.76 | GAA (0.56) | SMN1; SMN2GAANPC1RAB9AIDO1 | |
| SCHEMBL158616 | 0.76 | RAB9A (0.81) | SMN1; SMN2HPGDGAAALPLALOX12 | |
| SCHEMBL3067216 | 0.74 | MAPT (0.61) | SMN1; SMN2GAANPC1RAB9AALDH1A1 | |
| SCHEMBL28479452 | 0.74 | ALDH1A1 (0.63) | ALOX12NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL16188288 | 0.73 | ALOX12 (0.59) | SMN1; SMN2HPGDGAAALPLALOX12 |
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 |