Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 9/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL30360761 | 0.98 | AR (0.56) | ARCYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20511050 | 0.98 | AR (0.56) | ARCYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9746015 | 0.97 | AR (0.55) | ARCYP19A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9746494 | 0.91 | AR (0.55) | ARCYP19A1ALDH1A1HPGDSCN9A | |
| SCHEMBL522240 | 0.87 | AR (0.56) | ARCYP19A1ALDH1A1HPGDNPSR1 | |
| SCHEMBL9745960 | 0.87 | AR (0.56) | ARCYP19A1ALDH1A1HPGDNPSR1 | |
| SCHEMBL875804 | 0.85 | AR (0.56) | ARCYP1A2CYP2C9CYP2C19RECQL | |
| SCHEMBL13908822 | 0.84 | CYP19A1 (0.65) | ARCYP19A1ALDH1A1HPGDNPSR1 | |
| SCHEMBL27579381 | 0.83 | LTA4H (0.59) | ARCYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL16310206 | 0.83 | CYP19A1 (0.54) | ARCYP19A1CYP1A2CYP2C9CYP2C19 |
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 |