Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.36 |
| ▸ | ARG1 | P05089 | 1/20 | 0.32 |
| ▸ | ARG2 | P78540 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Trolamine SCHEMBL220505 | 0.94 | CYP1A2 (0.52) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Trolamine SCHEMBL5032871 | 0.88 | CYP1A2 (0.48) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Trolamine SCHEMBL5034081 | 0.88 | CYP1A2 (0.48) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Trolamine SCHEMBL11520004 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Trolamine SCHEMBL22749413 | 0.88 | CYP1A2 (0.52) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| SCHEMBL21531945 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| SCHEMBL2845423 | 0.85 | CYP1A2 (0.50) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL16970493 | 0.85 | CYP1A2 (0.50) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL10699915 | 0.84 | — | — | |
| Diethylaminoethanol SCHEMBL3114 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110184057-A1 | PARENTERAL TREATMENT WITH STATINS | OSTEOSCREEN IP, LLC | 2011-07-28 | — | — | US | disclosed |
| WO-2010014184-A1 | PARENTERAL TREATMENT WITH STATINS | SVIP1 LLC (US) | 2010-02-04 | — | — | WO | disclosed |
| US-20090181098-A1 | Hmg-Co-a Reductase Inhibitor Enhancement of Bone and Cartilage | OSTEOSCREEN IP, LLC (US) | 2009-07-16 | — | — | US | disclosed |
| EP-1996118-A2 | HMG CO-A REDUCTASE INHIBITOR ENHANCEMENT OF BONE AND CARTILAGE | Osteoscreen IP, LLC (US) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007103366-A2 | HMG CO-A REDUCTASE INHIBITOR ENHANCEMENT OF BONE AND CARTILAGE | OSTEOSCREEN IP, LLC (US) | 2007-09-13 | — | — | WO | disclosed |