Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9877681 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TDP1LMNARAB9AHTT | |
| SCHEMBL9878540 | 0.81 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP3A4TSHRGAA | |
| SCHEMBL9879008 | 0.80 | CYP19A1 (0.42) | ALDH1A1TDP1CYP3A4LMNAGAA | |
| SCHEMBL9877920 | 0.80 | CYP19A1 (0.44) | ALDH1A1TDP1CYP3A4LMNAHTT | |
| SCHEMBL9878142 | 0.79 | NT5E (0.61) | ALDH1A1TDP1GAATHRBAPEX1 | |
| SCHEMBL67062 | 0.78 | NT5E (0.59) | ALDH1A1TDP1CYP3A4S1PR4LMNA | |
| SCHEMBL4622820 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP3A4S1PR4LMNA | |
| SCHEMBL315765 | 0.78 | NT5E (0.59) | ALDH1A1TDP1CYP3A4S1PR4LMNA | |
| SCHEMBL9877382 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TDP1CYP3A4RAB9ATSHR | |
| SCHEMBL9878549 | 0.77 | GAA (0.39) | ALDH1A1TDP1CYP3A4S1PR4LMNA |
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-4992589-A | Substituted phenyl hydroxyethyl sulfones, and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-02-12 | — | — | US | disclosed |