Known targets — ChEMBL curated mechanism
S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Thiamine Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | TKT | P29401 | 10/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Thiamine Ion SCHEMBL6274356 | 0.97 | HSP90AA1 (0.68) | HSP90AA1TDP1TKTLMNAALDH1A1 | |
| Thiamine Ion SCHEMBL1499696 | 0.97 | HSP90AA1 (0.68) | HSP90AA1TDP1TKTLMNAALDH1A1 | |
| Thiamine Ion SCHEMBL29858574 | 0.97 | HSP90AA1 (0.68) | HSP90AA1TDP1TKTLMNAALDH1A1 | |
| Thiamine Ion SCHEMBL1499697 | 0.96 | HSP90AA1 (0.67) | HSP90AA1TDP1TKTLMNAALDH1A1 | |
| Thiamine Ion SCHEMBL6274357 | 0.96 | HSP90AA1 (0.67) | HSP90AA1TDP1TKTLMNAALDH1A1 | |
| Thiamine Ion SCHEMBL7786248 | 0.95 | HSP90AA1 (0.66) | HSP90AA1TDP1TKTLMNAALDH1A1 | |
| Thiamine Ion SCHEMBL28650146 | 0.95 | HSP90AA1 (0.68) | HSP90AA1TDP1TKTLMNAALDH1A1 | |
| Thiamine Ion SCHEMBL7786252 | 0.95 | HSP90AA1 (0.68) | HSP90AA1TDP1TKTLMNAALDH1A1 | |
| Thiamine Ion SCHEMBL6274353 | 0.95 | HSP90AA1 (0.68) | HSP90AA1TDP1TKTLMNAALDH1A1 | |
| Thiamine Ion SCHEMBL1499694 | 0.95 | HSP90AA1 (0.68) | HSP90AA1TDP1TKTLMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4464307-A1 | COSMETIC COMPOSITION AND METHODS OF MAKING THE SAME | MPLUS COSMETICS S.R.L. (IT) | 2024-11-20 | — | — | EP | disclosed |
| US-20240374498-A1 | COSMETIC COMPOSITION AND METHODS OF MAKING THE SAME | MPLUS COSMETICS S.R.L. (IT) | 2024-11-14 | — | — | US | disclosed |
| US-11464716-B1 | Semi-permanent colorant composition for hair | AMERICAN SPRAYTECH, L.L.C. (US) | 2022-10-11 | — | — | US | disclosed |