Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Isobutanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL28759986 | 0.91 | — | — | |
| Isobutanol SCHEMBL14060861 | 0.91 | — | — | |
| Isobutanol SCHEMBL969 | 0.91 | — | — | |
| Isobutanol SCHEMBL11800894 | 0.91 | TSHR (1.00) | TSHRTDP1ALDH1A1LMNA | |
| Isobutanol SCHEMBL175952 | 0.91 | TSHR (1.00) | TSHRTDP1ALDH1A1LMNA | |
| Isobutanol SCHEMBL23672280 | 0.86 | — | — | |
| Isobutanol SCHEMBL14991373 | 0.86 | — | — | |
| Isobutanol SCHEMBL60555 | 0.86 | — | — | |
| Isobutanol SCHEMBL1308019 | 0.86 | TSHR (0.90) | TSHRTDP1ALDH1A1LMNA | |
| Isobutanol SCHEMBL9759733 | 0.86 | TSHR (0.90) | TSHRTDP1ALDH1A1LMNA |
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-106995229-B | Double-tube type membrane electrode electro-catalytic reactor | 南京理工大学 | 2021-04-16 | — | — | CN | disclosed |