Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | PLCG2 | P16885 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28511914 | 0.95 | NPC1 (0.46) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| SCHEMBL29627547 | 0.95 | NPC1 (0.46) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| SCHEMBL28906122 | 0.88 | NPC1 (0.51) | SMN1; SMN2NPC1RAB9AMEN1ALDH1A1 | |
| SCHEMBL28557865 | 0.88 | MEN1 (0.41) | SMN1; SMN2NPC1RAB9ATP53TSHR | |
| SCHEMBL28501588 | 0.88 | NPC1 (0.51) | SMN1; SMN2NPC1RAB9AMEN1ALDH1A1 | |
| SCHEMBL28510819 | 0.87 | RAB9A (0.46) | SMN1; SMN2NPC1RAB9AMEN1ALDH1A1 | |
| SCHEMBL28502050 | 0.79 | RAB9A (0.45) | SMN1; SMN2NPC1RAB9ATSHRNFKB1 | |
| SCHEMBL28549182 | 0.79 | HSD17B1 (0.44) | IDO1MEN1HPGDKMT2AADORA1 | |
| SCHEMBL714891 | 0.77 | ASIC3 (0.38) | SMN1; SMN2NPC1RAB9AMEN1ALDH1A1 | |
| SCHEMBL28504247 | 0.77 | NPC1 (0.51) | SMN1; SMN2NPC1RAB9ATP53NFKB1 |
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-112552257-A | 3, 5-disubstituted isothiazole compound and synthesis method and application thereof | 五邑大学 | 2021-03-26 | — | — | CN | claimed |
| CN-112552257-A | 3, 5-disubstituted isothiazole compound and synthesis method and application thereof | 五邑大学 | 2021-03-26 | — | — | CN | disclosed |