Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.44 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.43 |
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 SCHEMBL28495949 | 0.96 | ALDH1A1 (0.46) | ALDH1A1ADORA1DYRK1APOLBAPEX1 | |
| 2-Mercaptobenzothiazole SCHEMBL28760767 | 0.87 | ALDH1A1 (0.50) | ALDH1A1ADORA1DYRK1APOLBAPEX1 | |
| 2-Mercaptobenzothiazole SCHEMBL28019016 | 0.87 | ADORA1 (0.56) | ALDH1A1ADORA1DYRK1APOLBAPEX1 | |
| 2-Mercaptobenzothiazole SCHEMBL29167846 | 0.87 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| 2-Mercaptobenzothiazole SCHEMBL29509878 | 0.87 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| 2-Mercaptobenzothiazole SCHEMBL23237 | 0.87 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| 2-Mercaptobenzothiazole SCHEMBL3789760 | 0.87 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| 2-Mercaptobenzothiazole SCHEMBL10595021 | 0.86 | KMT2A (0.49) | ALDH1A1ADORA1DYRK1APOLBAPEX1 | |
| 2-Mercaptobenzothiazole SCHEMBL27994442 | 0.86 | ADORA1 (0.54) | ALDH1A1ADORA1DYRK1APOLBSMN1; SMN2 | |
| 2-Mercaptobenzothiazole SCHEMBL28000655 | 0.86 | PSMB8 (0.51) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 |
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-106245016-A | Lithotrite surface process water-based antirust that a kind of coatability is good and preparation method thereof | 安徽吉思特智能装备有限公司 | 2016-12-21 | — | — | CN | disclosed |