Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | AR | P10275 | 10/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9747084 | 1.00 | ALDH1A1 (0.51) | ALDH1A1HPGDARCYP19A1MAOB | |
| SCHEMBL9746114 | 0.90 | ALDH1A1 (0.56) | ALDH1A1HPGDARCYP19A1MAOB | |
| SCHEMBL6013914 | 0.85 | AR (0.57) | ALDH1A1HPGDARCYP19A1MAOB | |
| SCHEMBL5143806 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HPGDARCYP19A1MAOB | |
| SCHEMBL9746267 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HPGDARCYP19A1MAOB | |
| SCHEMBL9745656 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HPGDARCYP19A1MAOB | |
| SCHEMBL9746946 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HPGDARCYP19A1MAOB | |
| SCHEMBL28487747 | 0.85 | ALDH1A1 (0.57) | ALDH1A1HPGDARCYP19A1MAOB | |
| SCHEMBL1940627 | 0.85 | AR (0.57) | ALDH1A1HPGDARCYP19A1MAOB | |
| SCHEMBL523446 | 0.85 | ALDH1A1 (0.65) | ALDH1A1HPGDARCYP19A1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-5118431-A | Phthalonitriles and phthalocyanines as lubricity-enhancing additives | THE DOW CHEMICAL COMPANY (US) | 1992-06-02 | — | — | US | disclosed |
| US-5061388-A | Novel phthalonitriles and phthalocyanines as lubricity-enhancing additives | THE DOW CHEMICAL COMPANY (US) | 1991-10-29 | — | — | US | disclosed |