Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.77 |
| ▸ | MGLL | Q99685 | 9/20 | 0.77 |
| ▸ | ALDH2 | P05091 | 6/20 | 0.77 |
| ▸ | LMNA | P02545 | 3/20 | 0.77 |
| ▸ | HTT | P42858 | 3/20 | 0.77 |
| ▸ | FAAH | O00519 | 3/20 | 0.77 |
| ▸ | TP53 | P04637 | 2/20 | 0.77 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.77 |
| ▸ | FBP1 | P09467 | 2/20 | 0.77 |
| ▸ | MAPT | P10636 | 2/20 | 0.77 |
| ▸ | PKM | P14618 | 2/20 | 0.77 |
| ▸ | HPGD | P15428 | 2/20 | 0.77 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.77 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.77 |
| ▸ | LOX | P28300 | 2/20 | 0.77 |
| ▸ | LOXL3 | P58215 | 2/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.77 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.77 |
| ▸ | LOXL4 | Q96JB6 | 2/20 | 0.77 |
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 SCHEMBL28964449 | 0.88 | ALDH1A1 (0.77) | ALDH1A1MGLLALDH2LMNAHTT | |
| Thiram SCHEMBL21144 | 0.87 | ALDH1A1 (1.00) | ALDH1A1MGLLALDH2LMNAHTT | |
| Thiram SCHEMBL1216571 | 0.87 | ALDH1A1 (1.00) | ALDH1A1MGLLALDH2LMNAHTT | |
| Thiram SCHEMBL234787 | 0.84 | ALDH1A1 (0.93) | ALDH1A1MGLLALDH2LMNAHTT | |
| Thiram SCHEMBL10881913 | 0.84 | ALDH1A1 (0.93) | ALDH1A1MGLLALDH2LMNAHTT | |
| Thiram SCHEMBL23248447 | 0.84 | ALDH1A1 (0.93) | ALDH1A1MGLLALDH2LMNAHTT | |
| Thiram SCHEMBL10883678 | 0.84 | ALDH1A1 (0.93) | ALDH1A1MGLLALDH2LMNAHTT | |
| Thiram SCHEMBL2773352 | 0.84 | ALDH1A1 (0.93) | ALDH1A1MGLLALDH2LMNAHTT | |
| Thiram SCHEMBL223860 | 0.84 | ALDH1A1 (0.93) | ALDH1A1MGLLALDH2LMNAHTT | |
| Thiram SCHEMBL3741643 | 0.84 | ALDH1A1 (0.93) | ALDH1A1MGLLALDH2LMNAHTT |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116809918-A | Metal nanocubes, preparation method and application thereof | 澳门大学 | 2023-09-29 | — | — | CN | disclosed |
| CN-116482073-A | CNTs/Ag/AgNWS/SiO 2 Combined SERS substrate, preparation method and pesticide detection method | 江汉大学 | 2023-07-25 | — | — | CN | disclosed |
| CN-116380865-A | CNTsAg@AuNPsSiO 2 Combined SERS substrate, preparation method and pesticide detection method | 江汉大学 | 2023-07-04 | — | — | CN | disclosed |
| CN-116337842-A | Three-dimensional SERS substrate for detecting Fubi-mei and preparation method thereof | 中国科学院苏州生物医学工程技术研究所 | 2023-06-27 | — | — | CN | disclosed |
| CN-115815612-A | Preparation method of annular gold and silver nanoparticles | 上海微淳生物科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-115629055-A | Xylan-based auxiliary organic pollutant rapid detection test paper and preparation method and application thereof | 华南理工大学 | 2023-01-20 | — | — | CN | disclosed |
| CN-113984664-B | SERS substrate with hierarchical porous metal organic framework-precious metal composite structure and preparation method and application thereof | 山东省科学院新材料研究所 | 2023-01-03 | — | — | CN | disclosed |
| CN-113984664-A | SERS substrate with hierarchical porous metal organic framework-precious metal composite structure and preparation method and application thereof | 山东省科学院新材料研究所 | 2022-01-28 | — | — | CN | disclosed |
| CN-111289487-B | Graphene-based surface-enhanced Raman scattering substrate and preparation method and application thereof | 中国科学院上海微系统与信息技术研究所 | 2021-08-06 | — | — | CN | disclosed |
| CN-112630151-A | SERS substrate, preparation method thereof and method for measuring pesticide residues by SERS | 成都子之源绿能科技有限公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-111289487-A | Graphene-based surface-enhanced Raman scattering substrate and preparation method and application thereof | 中国科学院上海微系统与信息技术研究所 | 2020-06-16 | — | — | CN | disclosed |
| CN-110423982-A | A kind of SERS substrate and the preparation method and application thereof based on Au@Ag nano particle ordered array | UNIV JIANGXI NORMAL SCI & TECH | 2019-11-08 | — | — | CN | disclosed |
| CN-109900674-A | A kind of nanogold array surface enhancing Raman chip and the preparation method and application thereof | 深圳华中科技大学研究院 | 2019-06-18 | — | — | CN | disclosed |
| CN-104185818-B | Toner for developing electrostatic charge image | 日本瑞翁株式会社 | 2019-03-15 | — | — | CN | disclosed |
| CN-104169810-B | Toner for developing electrostatic charge image and method for producing the same | 日本瑞翁株式会社 | 2018-04-06 | — | — | CN | disclosed |
| CN-104556422-B | A kind of phosphate-free water treatment agent compositions and application thereof | 中国石油化工股份有限公司 | 2016-08-17 | — | — | CN | disclosed |