Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.34 |
| ▸ | ALKBH3 | Q96Q83 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9226465 | 0.84 | DRD1 (0.42) | PDE3BPDE3APTGS2RPS6KA3ALKBH3 | |
| SCHEMBL9221162 | 0.84 | DRD1 (0.42) | PDE3BPDE3APTGS2RPS6KA3ALKBH3 | |
| SCHEMBL9225243 | 0.83 | GRM2 (0.38) | PDE3BPDE3APTGS2AKR1C3AKR1C2 | |
| SCHEMBL13412065 | 0.81 | DRD1 (0.36) | SCN9ALMNACYP3A4 | |
| SCHEMBL9226568 | 0.81 | PDE3B (0.39) | PDE3BPDE3APTGS2RPS6KA3AKR1C3 | |
| SCHEMBL13412048 | 0.81 | DRD1 (0.38) | — | |
| SCHEMBL17050141 | 0.81 | PDK2 (0.36) | PDE3BPDE3APTGS2RPS6KA3AKR1C3 | |
| SCHEMBL9223528 | 0.79 | APP (0.43) | PDE3BPDE3APTGS2ALKBH3MAPT | |
| SCHEMBL170435 | 0.79 | PDE3B (0.49) | PDE3BPDE3APTGS2RPS6KA3AKR1C3 | |
| SCHEMBL13265423 | 0.78 | ALOX5AP (0.39) | PDE3BPDE3APTGS2RPS6KA3AKR1C3 |
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-7662443-B2 | Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2010-02-16 | — | — | US | disclosed |
| US-20080121843-A1 | Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices | HECKMEIER MICHAEL | 2008-05-29 | — | — | US | disclosed |