Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11788432 | 0.92 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2D6MAOBGAA | |
| SCHEMBL11312625 | 0.92 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2D6MAOBGAA | |
| SCHEMBL1487480 | 0.90 | MEN1 (0.48) | CYP3A4CYP2C9CYP2D6MAOBALDH1A1 | |
| SCHEMBL11869399 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2D6MAOBALDH1A1 | |
| SCHEMBL10533050 | 0.80 | GAA (0.54) | CYP2C9CYP2D6MAOBGAAALDH1A1 | |
| SCHEMBL8810247 | 0.77 | GAA (0.51) | CYP3A4CYP2C9CYP2D6GAAALDH1A1 | |
| SCHEMBL12416892 | 0.77 | SIRT2 (0.61) | CYP3A4CYP2C9CYP2D6MAOBGAA | |
| SCHEMBL11767244 | 0.76 | GAA (0.50) | CYP3A4CYP2C9CYP2D6GAAALDH1A1 | |
| SCHEMBL12416632 | 0.76 | GAA (0.50) | CYP3A4CYP2C9CYP2D6GAAALDH1A1 | |
| SCHEMBL12416646 | 0.76 | GAA (0.50) | CYP3A4CYP2C9CYP2D6GAAALDH1A1 |
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-RE28806-E | Liquid crystal compositions | XEROX CORPORATION (US) | 1976-05-11 | — | — | US | disclosed |
| US-3931041-A | LIQUID CRYSTAL COMPOSITIONS | XEROX CORPORATION (US) | 1976-01-06 | — | — | US | disclosed |