Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 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 | |
|---|---|---|---|---|
| Butanol SCHEMBL1028571 | 0.94 | — | — | |
| Butanol SCHEMBL21435673 | 0.94 | TSHR (0.67) | TSHRTDP1FFAR3LCKFYN | |
| Butanol SCHEMBL8658632 | 0.91 | TSHR (0.62) | TSHRTDP1FFAR3LCKFYN | |
| Butanol SCHEMBL11607214 | 0.91 | TSHR (0.62) | TSHRTDP1FFAR3LCKFYN | |
| Butanol SCHEMBL21407620 | 0.91 | TSHR (0.62) | TSHRTDP1TP53ALDH1A1THPO | |
| Butanol SCHEMBL28873833 | 0.88 | TSHR (0.59) | TSHRTDP1FFAR3LCKFYN | |
| Propylene Glycol SCHEMBL11062962 | 0.88 | TDP1 (0.59) | TSHRTDP1FFAR3LCKFYN | |
| Acetic Acid SCHEMBL10486550 | 0.88 | FFAR3 (0.47) | TSHRTDP1FFAR3LCKFYN | |
| Butanol SCHEMBL9506830 | 0.86 | TSHR (0.56) | TSHRTDP1FFAR3LCKFYN | |
| Acetic Acid SCHEMBL17187631 | 0.85 | FFAR3 (0.44) | TSHRTDP1FFAR3LCKFYN |
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 |
|---|---|---|---|---|---|---|---|
| US-5430178-A | Process for the preparation of acetic esters from methanol | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1995-07-04 | — | — | US | disclosed |