Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butylbenzyl. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.56 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Butylbenzyl SCHEMBL8205538 | 0.93 | MEN1 (0.51) | MEN1KMT2AALDH1A1USP2LMNA | |
| Butylbenzyl SCHEMBL28572590 | 0.89 | MEN1 (0.58) | MEN1KMT2AALDH1A1USP2LMNA | |
| Benzyl Alcohol SCHEMBL8445888 | 0.83 | TSHR (0.59) | MEN1KMT2AALDH1A1USP2LMNA | |
| Di(Hydroxyethyl)Ether SCHEMBL23795284 | 0.83 | MEN1 (0.68) | MEN1KMT2AALDH1A1USP2LMNA | |
| Phenylethyl Alcohol SCHEMBL27808734 | 0.82 | TDP1 (0.59) | MEN1KMT2AALDH1A1USP2LMNA | |
| SCHEMBL13459003 | 0.82 | IDO1 (0.53) | MEN1KMT2AALDH1A1USP2LMNA | |
| SCHEMBL28234756 | 0.81 | TSHR (0.57) | MEN1KMT2AALDH1A1USP2LMNA | |
| Benzene SCHEMBL27845793 | 0.81 | MEN1 (0.51) | MEN1KMT2AALDH1A1USP2LMNA | |
| Butoxyethanol SCHEMBL9396565 | 0.81 | TSHR (0.61) | MEN1KMT2AALDH1A1USP2LMNA | |
| SCHEMBL10390505 | 0.81 | IDO1 (0.55) | MEN1KMT2AALDH1A1USP2LMNA |
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-6048834-A | Microemulsion light duty liquid cleaning compositions | COLGATE-PALMOLIVE CO. (US) | 2000-04-11 | — | — | US | disclosed |