Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | CTSV | O60911 | 2/20 | 0.50 |
| ▸ | CTSL | P07711 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.46 |
| ▸ | ANO2 | Q9NQ90 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9097438 | 0.88 | MEN1 (0.50) | ALDH1A1MAPTCTSVCTSLKMT2A | |
| SCHEMBL732933 | 0.87 | TP53 (0.55) | ALDH1A1MAPTCTSVCTSLTP53 | |
| SCHEMBL5133113 | 0.86 | TP53 (0.51) | ALDH1A1MAPTCTSVCTSLTP53 | |
| SCHEMBL28090595 | 0.86 | PTGDR2 (0.52) | ALDH1A1MAPTHTTKMT2AMEN1 | |
| SCHEMBL7970263 | 0.85 | S1PR3 (0.61) | ALDH1A1MAPTTP53HTT | |
| SCHEMBL18113435 | 0.84 | HTT (0.57) | ALDH1A1MAPTCTSVCTSLTP53 | |
| SCHEMBL28745869 | 0.84 | S1PR3 (0.63) | ALDH1A1TP53HTTHPGD | |
| Carbamic Acid SCHEMBL29158265 | 0.83 | MAPT (0.51) | ALDH1A1MAPTHTTKMT2AMEN1 | |
| SCHEMBL1671926 | 0.82 | CTSV (0.60) | ALDH1A1MAPTCTSVCTSLTP53 | |
| SCHEMBL2002273 | 0.82 | MAPT (0.55) | ALDH1A1MAPTHTTKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1867554-B | Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors | HOFFMANN LA ROCHE | 2011-07-06 | — | — | CN | disclosed |
| EP-1656361-B1 | PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |
| CN-1867554-A | Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors | HOFFMANN LA ROCHE (CH) | 2006-11-22 | — | — | CN | disclosed |
| EP-0663391-B1 | Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls | HOFFMANN LA ROCHE (CH) | 1997-04-09 | — | — | EP | disclosed |
| EP-0663391-A1 | Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls | F. HOFFMANN-LA ROCHE AG (CH) | 1995-07-19 | — | — | EP | disclosed |