Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Thiram. 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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | MGLL | Q99685 | 5/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | HTT | P42858 | 3/20 | 0.65 |
| ▸ | TP53 | P04637 | 3/20 | 0.65 |
| ▸ | HPGD | P15428 | 3/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.65 |
| ▸ | FAAH | O00519 | 3/20 | 0.65 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.65 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | FBP1 | P09467 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | PKM | P14618 | 2/20 | 0.65 |
| ▸ | LOX | P28300 | 2/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | LOXL3 | P58215 | 2/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Thiram SCHEMBL28493531 | 0.84 | ALDH1A1 (0.72) | ALDH1A1MGLLLMNAHTTTP53 | |
| Thiram SCHEMBL28506660 | 0.84 | ALDH1A1 (0.93) | ALDH1A1MGLLLMNAHTTTP53 | |
| Thiram SCHEMBL27400380 | 0.84 | ALDH1A1 (0.93) | ALDH1A1MGLLLMNAHTTTP53 | |
| Thiram SCHEMBL28684645 | 0.81 | MGLL (0.87) | ALDH1A1MGLLLMNAHTTTP53 | |
| Thiram SCHEMBL1216571 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MGLLLMNAHTTTP53 | |
| Thiram SCHEMBL21144 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MGLLLMNAHTTTP53 | |
| Thiram SCHEMBL28854042 | 0.80 | MGLL (0.65) | ALDH1A1MGLLLMNAHTTTP53 | |
| Thiram SCHEMBL23248447 | 0.78 | ALDH1A1 (0.93) | ALDH1A1MGLLLMNAHTTTP53 | |
| Thiram SCHEMBL2773352 | 0.78 | ALDH1A1 (0.93) | ALDH1A1MGLLLMNAHTTTP53 | |
| Thiram SCHEMBL3741643 | 0.78 | ALDH1A1 (0.93) | ALDH1A1MGLLLMNAHTTTP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105874032-B | Method for producing mineral oil | 巴斯夫欧洲公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-107531848-A | Process for preparing stabilized polyacrylamide compositions | 巴斯夫欧洲公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-105874032-A | Method for producing mineral oil | 巴斯夫欧洲公司 | 2016-08-17 | — | — | CN | disclosed |