Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | PDE2A | O00408 | 1/20 | 0.49 |
| ▸ | PDE5A | O76074 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.49 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.49 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | NT5E | P21589 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL715241 | 0.87 | NT5E (0.57) | CYP3A4TSHRALDH1A1TDP1PDE2A | |
| SCHEMBL315765 | 0.85 | NT5E (0.59) | CYP3A4TSHRALDH1A1TDP1PDE2A | |
| SCHEMBL67062 | 0.85 | NT5E (0.59) | CYP3A4TSHRALDH1A1TDP1PDE2A | |
| Ammonia Solution, Strong SCHEMBL5566240 | 0.84 | NT5E (0.57) | CYP3A4TSHRALDH1A1TDP1PDE2A | |
| Ammonia Solution, Strong SCHEMBL5566229 | 0.84 | NT5E (0.57) | CYP3A4TSHRALDH1A1TDP1PDE2A | |
| SCHEMBL715238 | 0.84 | NT5E (0.57) | CYP3A4TSHRALDH1A1TDP1PDE2A | |
| Fluoride SCHEMBL11674539 | 0.84 | NT5E (0.57) | CYP3A4TSHRALDH1A1TDP1PDE2A | |
| SCHEMBL715240 | 0.84 | NT5E (0.57) | CYP3A4TSHRALDH1A1TDP1PDE2A | |
| SCHEMBL10921413 | 0.83 | ALDH1A1 (0.47) | CYP3A4TSHRALDH1A1TDP1ALOX15 | |
| SCHEMBL9477929 | 0.82 | ALDH1A1 (0.64) | CYP3A4TSHRALDH1A1TDP1PDE2A |
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-5175261-A | Useful for coloring cellulose materials, animal furs or leather | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-12-29 | — | — | US | disclosed |