Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Trolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 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 | |
|---|---|---|---|---|
| Diethylaminoethanol SCHEMBL18769935 | 0.86 | CYP1A2 (0.45) | TP53CYP1A2CYP2C9HPGDMAPK1 | |
| Diethylaminoethanol SCHEMBL28133290 | 0.86 | CYP1A2 (0.45) | TP53CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL5180611 | 0.84 | CYP2C19 (0.38) | TP53CYP1A2CYP2C9HPGDMAPK1 | |
| Trolamine SCHEMBL30733247 | 0.78 | MAPT (0.47) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Trolamine SCHEMBL30238589 | 0.78 | MAPT (0.47) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Trolamine SCHEMBL8515536 | 0.78 | MAPT (0.47) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Trolamine SCHEMBL11800024 | 0.78 | MAPT (0.47) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Trolamine SCHEMBL752321 | 0.78 | MAPT (0.47) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Trolamine SCHEMBL27668841 | 0.78 | MAPT (0.47) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylamine SCHEMBL29212562 | 0.78 | TP53 (0.44) | TP53MAPTALOX15CYP3A4ALDH1A1 |
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-6566564-B1 | Isomerization of precursor allyl alcohols to product allyl alcohols in the presence of tungsten oxo(VI) complexes comprising additional nitrogen-containing ligands and amino alcohols | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-20 | — | — | US | disclosed |