Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 SCHEMBL25345835 | 0.94 | — | — | |
| Butanol SCHEMBL5317804 | 0.94 | TSHR (0.71) | TSHRTDP1ALDH1A1LMNATP53 | |
| Butanol SCHEMBL9247487 | 0.91 | TSHR (0.59) | TSHRTDP1ALDH1A1THPOTP53 | |
| Acetone SCHEMBL2506708 | 0.87 | ALDH1A1 (0.43) | TSHRTDP1ALDH1A1LMNATHPO | |
| Acetone SCHEMBL9066475 | 0.87 | ALDH1A1 (0.43) | TSHRTDP1ALDH1A1LMNATHPO | |
| Butanol SCHEMBL29165284 | 0.87 | TSHR (0.83) | TSHRTDP1ALDH1A1LMNA | |
| Butanol SCHEMBL27424153 | 0.87 | TSHR (0.83) | TSHRTDP1ALDH1A1LMNA | |
| Butanol SCHEMBL2495029 | 0.87 | — | — | |
| Butanol SCHEMBL21435673 | 0.84 | TSHR (0.67) | TSHRTDP1ALDH1A1TP53 | |
| Butanol SCHEMBL1028571 | 0.84 | — | — |
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-20190305359-A1 | INK FORMULATIONS AND METHODS FOR AN ELECTROLYTE FOR A SOLID STATE LITHIUM-ION BATTERY | GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 2019-10-03 | — | — | US | claimed |