Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.31 |
| ▸ | NQO1 | P15559 | 1/20 | 0.30 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.30 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5989852 | 0.90 | CYP1A1 (0.36) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL27725041 | 0.90 | CACNA2D1 (0.35) | CYP1A1CYP1A2CYP1B1NQO1CACNA2D1 | |
| SCHEMBL497590 | 0.90 | CYP1A1 (0.45) | CYP1A1CYP1A2CYP1B1ACACBASIC3 | |
| SCHEMBL12277770 | 0.89 | CYP1A2 (0.46) | CYP1A1CYP1A2CYP1B1ACACBASIC3 | |
| SCHEMBL20044956 | 0.87 | CACNA2D1 (0.35) | CYP1A1CYP1A2CYP1B1NQO1CACNA2D1 | |
| SCHEMBL1270205 | 0.87 | CACNA2D1 (0.35) | CYP1A1CYP1A2CYP1B1NQO1CACNA2D1 | |
| SCHEMBL26259740 | 0.85 | CYP1A2 (0.46) | CYP1A1CYP1A2CYP1B1ACACBASIC3 | |
| SCHEMBL12278231 | 0.84 | CYP1A1 (0.39) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL651091 | 0.84 | CACNA2D1 (0.33) | CYP1A1CYP1A2CYP1B1NQO1CACNA2D1 | |
| SCHEMBL29360481 | 0.83 | CACNA2D1 (0.37) | CYP1A1CYP1A2CYP1B1NQO1CACNA2D1 |
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-8455373-B2 | Ink-jet print ink and organic thin film transistor using thereof | POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) | 2013-06-04 | — | — | US | disclosed |
| US-20110180787-A1 | Ink-Jet Print Ink and Organic Thin Film Transister Using Thereof | POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) | 2011-07-28 | — | — | US | disclosed |