Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | GAA | P10253 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4194073 | 0.83 | ALDH1A1 (0.53) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL5032159 | 0.81 | GAA (0.48) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL15399050 | 0.79 | NPC1 (0.38) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL284696 | 0.78 | ALDH1A1 (0.63) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL265388 | 0.77 | GAA (0.53) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL29077870 | 0.75 | MIF (0.37) | TSHRCYP3A4HIF1A | |
| SCHEMBL5609676 | 0.74 | GAA (0.57) | ALDH1A1GAATSHRLMNAKMT2A | |
| Tromethamine SCHEMBL7603877 | 0.74 | ALDH1A1 (0.46) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL283499 | 0.74 | ALDH1A1 (0.59) | ALDH1A1GAATSHRLMNAKMT2A | |
| SCHEMBL8751536 | 0.74 | ALDH1A1 (0.59) | ALDH1A1GAATSHRLMNAKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0404039-B1 | PHARMACEUTICALS CONTAINING DI-TERT.BUTYLHYDROXYPHENYL-DERIVATIVES AND NEW DERIVATIVES | Roche Diagnostics GmbH (DE) | 1993-01-13 | — | — | EP | disclosed |
| EP-0404039-A1 | Pharmaceuticals containing di-tert.butylhydroxyphenyl-derivatives and new derivatives | Roche Diagnostics GmbH (DE) | 1990-12-27 | — | — | EP | disclosed |