Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Phenylacetylene SCHEMBL28253007 | 0.85 | HDAC8 (0.41) | KDM4EHDAC8APPTSHRLMNA | |
| Diphenylacetylene SCHEMBL27594323 | 0.85 | APP (0.60) | KDM4EAPPCYP3A4NPSR1ALDH1A1 | |
| Phenylacetylene SCHEMBL6891916 | 0.84 | APP (0.53) | HDAC8APPTSHRCYP3A4BLM | |
| Phenylacetylene SCHEMBL4884 | 0.84 | — | — | |
| Phenylacetylene SCHEMBL27795197 | 0.84 | APP (0.53) | HDAC8APPTSHRCYP3A4BLM | |
| Phenylacetylene SCHEMBL1331558 | 0.84 | — | — | |
| Phenylacetylene SCHEMBL1331408 | 0.84 | — | — | |
| Phenylacetylene SCHEMBL1331398 | 0.84 | — | — | |
| Phenylacetylene SCHEMBL4297769 | 0.84 | — | — | |
| Phenylacetylene SCHEMBL27630895 | 0.83 | LTA4H (0.42) | KDM4EHDAC8APPNPSR1SMN1; SMN2 |
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 |