Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | TDP2 | O95551 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL6217127 | 0.84 | CYP2D6 (0.59) | CYP2D6ALDH1A1HSD17B10CA12CA1 | |
| SCHEMBL6859292 | 0.84 | ADRA2A (0.51) | CYP2D6HDAC4HDAC2HDAC8DHFR | |
| SCHEMBL29899709 | 0.80 | CA12 (0.60) | CYP2D6HDAC4HDAC2HDAC8DHFR | |
| SCHEMBL8503322 | 0.79 | CA12 (0.65) | CYP2D6HDAC4HDAC2HDAC8DHFR | |
| SCHEMBL6163752 | 0.79 | KDM4E (0.60) | CYP2D6HDAC4HDAC2HDAC8DHFR | |
| SCHEMBL29384037 | 0.75 | CYP1A1 (0.72) | CYP2D6HDAC4HDAC2HDAC8DHFR | |
| SCHEMBL7115107 | 0.75 | ACHE (0.42) | ALDH1A1HPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28941802 | 0.75 | DHFR (0.57) | CYP2D6HDAC4HDAC2HDAC8DHFR | |
| SCHEMBL30177498 | 0.75 | DHFR (0.57) | CYP2D6HDAC4HDAC2HDAC8DHFR | |
| SCHEMBL196223 | 0.74 | CA12 (0.68) | CYP2D6HDAC4HDAC2HDAC8DHFR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6638646-B2 | Polymerizing one or more monomers containing dihalogen containing substituted biaryls, via a base-induced dehydrohalogenation | SEMICONDUCTORS GMBH (DE) | 2003-10-28 | — | — | US | disclosed |
| US-20030088050-A1 | Substituted poly(arylenevinylenes), process for their preparation, and their use in electroluminescent elements | MERCK PATENT GMBH (DE) | 2003-05-08 | — | — | US | disclosed |
| US-20020064680-A1 | Substituted poly(arylene vinylenes), method for producing the same, and their use in electroluminescent elements | AXIVA GMBH (DE) | 2002-05-30 | — | — | US | disclosed |