Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11946680 | 0.80 | CYP3A4 (0.65) | CYP3A4CYP2D6OPRK1SMN1; SMN2LMNA | |
| Benznidazole SCHEMBL45081 | 0.76 | CYP3A4 (1.00) | CYP3A4CYP2D6OPRK1SMN1; SMN2LMNA | |
| Benznidazole SCHEMBL2324217 | 0.72 | CYP3A4 (0.89) | CYP3A4CYP2D6OPRK1SMN1; SMN2LMNA | |
| SCHEMBL1259469 | 0.70 | ALDH1A1 (0.55) | CYP3A4CYP2D6OPRK1SMN1; SMN2LMNA | |
| SCHEMBL7530193 | 0.70 | HPGD (0.71) | SMN1; SMN2POLBMEN1KMT2ATSHR | |
| SCHEMBL10247217 | 0.69 | SMN1; SMN2 (0.62) | CYP3A4CYP2D6SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL13365579 | 0.68 | GAA (0.59) | LMNAL3MBTL1ALDH1A1MEN1RAB9A | |
| Hydrochloric Acid SCHEMBL411425 | 0.68 | SMN1; SMN2 (0.61) | CYP3A4CYP2D6SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL17824294 | 0.67 | CYP3A4 (0.49) | CYP3A4CYP2D6OPRK1SMN1; SMN2LMNA | |
| SCHEMBL3844592 | 0.67 | HTT (0.79) | SMN1; SMN2LMNAALDH1A1MDM2POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007044693-A2 | MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS | THE UNIVERSITY OF ALABAMA (US) | 2007-04-19 | — | — | WO | disclosed |