Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of 2-Mercaptobenzothiazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.44 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.44 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.57 |
| ▸ | ACP1 | P24666 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.44 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | FBP1 | P09467 | 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 | |
|---|---|---|---|---|
| 2-Mercaptobenzothiazole SCHEMBL29509878 | 0.88 | ALDH1A1 (0.54) | DDAH1NPC1RAB9ASMN1; SMN2MAPT | |
| 2-Mercaptobenzothiazole SCHEMBL23237 | 0.88 | ALDH1A1 (0.54) | DDAH1NPC1RAB9ASMN1; SMN2MAPT | |
| 2-Mercaptobenzothiazole SCHEMBL3789760 | 0.88 | ALDH1A1 (0.54) | DDAH1NPC1RAB9ASMN1; SMN2MAPT | |
| 2-Mercaptobenzothiazole SCHEMBL27074383 | 0.86 | PSMB8 (0.48) | DDAH1NPC1RAB9ASMN1; SMN2MAPT | |
| 2-Mercaptobenzothiazole SCHEMBL27478298 | 0.86 | ALDH1A1 (0.48) | DDAH1NPC1RAB9ASMN1; SMN2MAPT | |
| 2-Mercaptobenzothiazole SCHEMBL3799827 | 0.86 | PSMB8 (0.48) | DDAH1NPC1RAB9ASMN1; SMN2MAPT | |
| 2-Mercaptobenzothiazole SCHEMBL10429471 | 0.86 | ALDH1A1 (0.52) | DDAH1NPC1RAB9ASMN1; SMN2MAPT | |
| 2-Mercaptobenzothiazole SCHEMBL7640197 | 0.86 | ALDH1A1 (0.52) | DDAH1NPC1RAB9ASMN1; SMN2MAPT | |
| 2-Mercaptobenzothiazole SCHEMBL9813097 | 0.86 | ALDH1A1 (0.52) | DDAH1NPC1RAB9ASMN1; SMN2MAPT | |
| 2-Mercaptobenzothiazole SCHEMBL78798 | 0.86 | ALDH1A1 (0.52) | DDAH1NPC1RAB9ASMN1; SMN2MAPT |
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-105566391-A | Water-soluble 2-mercapto benzothiazole phosphate anti-rust agent | XIU JIANDONG | 2016-05-11 | — | — | CN | disclosed |
| CN-105566391-A | Water-soluble 2-mercapto benzothiazole phosphate anti-rust agent | XIU JIANDONG | 2016-05-11 | — | — | CN | disclosed |