Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tert-Butanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL27638703 | 0.90 | LMNA (0.43) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL1591297 | 0.86 | FFAR3 (0.64) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL28301301 | 0.86 | FFAR3 (0.64) | FFAR3LCKFYNALDH1A1TSHR | |
| Tert-Butanol SCHEMBL6273948 | 0.86 | — | — | |
| Acetic Acid SCHEMBL694363 | 0.86 | — | — | |
| Carbon Tetrachloride SCHEMBL11356447 | 0.83 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TSHR | |
| Carbon Tetrachloride SCHEMBL29008316 | 0.83 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL8187512 | 0.82 | FFAR3 (0.58) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL5555814 | 0.82 | FFAR3 (0.58) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL8619684 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376484-B1 | FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-04-23 | — | — | US | disclosed |
| US-6136834-A | TETRAZOLE PEPTIDES | ONO PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |