Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28476983 | 0.85 | ADORA3 (0.35) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28647365 | 0.84 | KIF11 (0.52) | KIF11MEN1KMT2AALDH1A1TNKS | |
| SCHEMBL28661681 | 0.84 | KIF11 (0.52) | KIF11MEN1KMT2AALDH1A1TNKS | |
| SCHEMBL28655309 | 0.82 | NPC1 (0.42) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28661674 | 0.82 | NPC1 (0.42) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28650268 | 0.79 | ALOX5 (0.37) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28658071 | 0.79 | ALDH1A1 (0.47) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28650363 | 0.79 | ALOX5 (0.37) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28653098 | 0.79 | CYP1A2 (0.47) | NPC1RAB9AKMT2AALDH1A1KDM4E | |
| SCHEMBL28664267 | 0.78 | NPC1 (0.47) | NPC1RAB9AALDH1A1ALOX5KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-111233783-B | Synthetic method of isothiazol-4-yl disulfide derivative | 温州大学 | 2021-11-16 | — | — | CN | disclosed |