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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 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 | 0.91 | — | — | |
| Butanol SCHEMBL21435673 | 0.91 | TSHR (0.67) | TSHRFFAR3LCKFYNTP53 | |
| Butanol SCHEMBL11607214 | 0.88 | TSHR (0.62) | TSHRFFAR3LCKFYNTP53 | |
| Butanol SCHEMBL8658632 | 0.88 | TSHR (0.62) | TSHRFFAR3LCKFYNTP53 | |
| Butanol SCHEMBL28873833 | 0.86 | TSHR (0.59) | TSHRFFAR3LCKFYNTP53 | |
| Butanol SCHEMBL9247487 | 0.86 | TSHR (0.59) | TSHRFFAR3LCKFYNTP53 | |
| Butanol SCHEMBL11636263 | 0.85 | — | — | |
| Acetic Acid SCHEMBL27861656 | 0.82 | FFAR3 (0.44) | TSHRFFAR3LCKFYNGABRR1 | |
| Acetic Acid SCHEMBL2678979 | 0.82 | — | — | |
| Butanol SCHEMBL25345835 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0555231-A1 | REGULATION OF NEOPLASTIC CELL PROLIFERATION VIA A NOVEL 5HT1a RECEPTOR | MILES INC. (US) | 1993-08-18 | — | — | EP | disclosed |
| EP-0547172-A1 | REGULATION OF T-CELL PROLIFERATION VIA A NOVEL 5HT1a RECEPTOR | MILES INC. (US) | 1993-06-23 | — | — | EP | disclosed |
| WO-1992004014-A2 | REGULATION OF NEOPLASTIC CELL PROLIFERATION VIA A NOVEL 5HT1a RECEPTOR | MILES INC. (US) | 1992-03-19 | — | — | WO | disclosed |
| WO-1992004015-A2 | REGULATION OF T-CELL PROLIFERATION VIA A NOVEL 5HT1a RECEPTOR | MILES INC. (US) | 1992-03-19 | — | — | WO | disclosed |