Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1,3-Butanediol. 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 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| 1,3-Butanediol SCHEMBL11799742 | 0.97 | — | — | |
| 1,3-Butanediol SCHEMBL6297788 | 0.94 | — | — | |
| 1,3-Butanediol SCHEMBL20543850 | 0.90 | — | — | |
| 1,3-Butanediol SCHEMBL8176 | 0.90 | — | — | |
| 1,3-Butanediol SCHEMBL222874 | 0.90 | — | — | |
| 1,3-Butanediol SCHEMBL3427715 | 0.90 | TDP1 (0.53) | TSHRTDP1THRBALDH1A1ALOX15 | |
| 1,3-Butanediol SCHEMBL227565 | 0.90 | — | — | |
| 1,3-Butanediol SCHEMBL28395358 | 0.88 | TSHR (0.44) | TSHRTDP1THRBALDH1A1ALOX15 | |
| 1,3-Butanediol SCHEMBL27585060 | 0.88 | TSHR (0.62) | TSHRTDP1THRBALDH1A1ALOX15 | |
| 1,3-Butanediol SCHEMBL8522817 | 0.87 | TDP1 (0.50) | TSHRTDP1THRBALDH1A1ALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993822-B1 | Ceramide production-accelerating agent | KAO CORP (JP) | 2003-06-04 | — | — | EP | disclosed |
| EP-1051965-A2 | External skin care composition | Kao Corporation (JP) | 2000-11-15 | — | — | EP | disclosed |
| EP-0993822-A1 | Ceramide production-accelerating agent | Kao Corporation (JP) | 2000-04-19 | — | — | EP | disclosed |