Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 4/20 | 0.39 |
| ▸ | NOS3 | P29474 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MELK | Q14680 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170131 | 0.70 | NOS3 (0.46) | NOS2NOS3ALDH1A1GAACCR1 | |
| SCHEMBL11731053 | 0.70 | NOS2 (0.46) | NOS2NOS3CCR1CCR5CCR8 | |
| SCHEMBL739723 | 0.69 | ALDH1A1 (0.43) | ALDH1A1GAAHTT | |
| SCHEMBL4327246 | 0.67 | ALDH1A1 (0.37) | ALDH1A1GAAHTTMELK | |
| SCHEMBL2083503 | 0.66 | NOS2 (0.46) | NOS2NOS3ALDH1A1CCR1CCR5 | |
| SCHEMBL17522878 | 0.66 | ALDH1A1 (0.36) | ALDH1A1GAAHTTMELKCYP3A4 | |
| SCHEMBL79944 | 0.65 | FFAR1 (0.45) | ALDH1A1GAACYP1A2CYP3A4CYP2A6 | |
| SCHEMBL27712430 | 0.64 | ALDH1A1 (0.45) | ALDH1A1GAAHTTMELK | |
| SCHEMBL1852423 | 0.62 | ALDH1A1 (0.33) | ALDH1A1GAAHTT | |
| SCHEMBL111571 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101111499-B | Substituted ethynyl gold-nitrogen-containing heterocyclic carbene complex and organic electroluminescent device using the same | UBE INDUSTRIES | 2012-05-23 | — | — | CN | disclosed |
| CN-101111499-A | Substituted ethynyl gold-nitrogenated heterocyclic carbene complex and organic electroluminescent device using same | UBE INDUSTRIES (JP) | 2008-01-23 | — | — | CN | disclosed |