Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.31 |
| ▸ | TTPA | P49638 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.30 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL8746263 | 0.87 | MAPT (0.37) | AKT1MAPTLMNAMEN1GSTP1 | |
| SCHEMBL8950690 | 0.84 | MAPT (0.46) | MAPTLMNAMEN1GSTP1TTPA | |
| SCHEMBL8746294 | 0.84 | MAPT (0.46) | MAPTLMNAMEN1GSTP1TTPA | |
| SCHEMBL8950664 | 0.83 | ALOX5 (0.47) | AKT1ALOX5 | |
| SCHEMBL8950702 | 0.79 | MAPT (0.49) | MAPTLMNAMEN1GSTP1TTPA | |
| SCHEMBL8950713 | 0.78 | AKT1 (0.52) | AKT1LMNAALOX5NR1I2 | |
| SCHEMBL4279085 | 0.74 | NR1I2 (0.41) | AKT1MAPTLMNAMEN1GSTP1 | |
| Bromide SCHEMBL9096853 | 0.72 | NR1I2 (0.38) | AKT1MAPTLMNAMEN1GSTP1 | |
| SCHEMBL4271053 | 0.72 | ALOX5 (0.47) | AKT1MAPTLMNAMEN1GSTP1 | |
| SCHEMBL9098891 | 0.71 | NR1I2 (0.48) | MAPTLMNAMEN1GSTP1TTPA |
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 |
|---|---|---|---|---|---|---|---|
| US-5484810-A | Tissue protective tocopherol analogs | MERRELL DOW PHARMACEUTICALS INC. (US) | 1996-01-16 | — | — | US | disclosed |
| EP-0550337-A1 | Tissue protective tocopherol analogs | MERRELL PHARMACEUTICALS INC. (US) | 1993-07-07 | — | — | EP | disclosed |
| EP-0550292-A1 | Tissue protective tocopherol analogs | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-07-07 | — | — | EP | disclosed |