Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 | 0.93 |
| ▸ | TKT | P29401 | 11/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
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 SCHEMBL10074 | 0.98 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL29445547 | 0.98 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL29572584 | 0.98 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL7090274 | 0.98 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL6687656 | 0.96 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL5317564 | 0.96 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL1532399 | 0.96 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL10636112 | 0.96 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL7111895 | 0.96 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL9618672 | 0.96 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6290943-B1 | WATER IN OIL EMULSION, HAIR CONDITIONERS | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2001-09-18 | — | — | US | disclosed |
| US-6235298-B1 | LIQUID SHOWER GELS AND SHAMPOO, NONIONIC NATURAL GUM STABILIZER; SELECTION OF SURFACTANT SYSTEM AND THICKENER IS CRITICAL TO MULTIPLE EMULSION COMPOSITION NOT PHASESEPARATING | UNILEVER HOME & PERSONAL CARE USA | 2001-05-22 | — | — | US | disclosed |
| WO-2001028502-A1 | STABLE MULTIPLE EMULSION COMPOSITION | UNILEVER PLC (GB) | 2001-04-26 | — | — | WO | disclosed |