Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.41 |
| ▸ | RELA | Q04206 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28661674 | 1.00 | NPC1 (0.42) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL28476983 | 0.89 | ADORA3 (0.35) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL28658071 | 0.83 | ALDH1A1 (0.47) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL28653098 | 0.83 | CYP1A2 (0.47) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL28650363 | 0.83 | ALOX5 (0.37) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL435137 | 0.83 | CYP1A2 (0.47) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL28650268 | 0.83 | ALOX5 (0.37) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL28658013 | 0.82 | KIF11 (0.39) | NPC1RAB9AALDH1A1KDM4EMEN1 | |
| SCHEMBL28586105 | 0.82 | NPC1 (0.47) | NPC1RAB9ATDP1HPGDSMN1; SMN2 | |
| SCHEMBL28650037 | 0.82 | TP53 (0.39) | NPC1RAB9ACASP3SENP7NFKB1 |
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-111233783-B | Synthetic method of isothiazol-4-yl disulfide derivative | 温州大学 | 2021-11-16 | — | — | CN | disclosed |
| CN-111233783-A | Synthesis method of bithiazole-4-yl disulfide derivative | 温州大学 | 2020-06-05 | — | — | CN | disclosed |