Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | HTR1D | P28221 | 3/20 | 0.35 |
| ▸ | HTR1B | P28222 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8922225 | 0.87 | NR1I2 (0.63) | CYP3A4CYP2D6NR1I2HDAC6HDAC1 | |
| SCHEMBL8921466 | 0.81 | NR1I2 (0.45) | CYP3A4CYP2D6NR1I2L3MBTL1MAPT | |
| SCHEMBL8925912 | 0.80 | NR1I2 (0.46) | CYP3A4CYP2D6NR1I2L3MBTL1MAPT | |
| SCHEMBL8824399 | 0.76 | NR1I2 (0.52) | CYP3A4CYP2D6NR1I2L3MBTL1MAPT | |
| SCHEMBL8824422 | 0.75 | NR1I2 (0.53) | CYP3A4CYP2D6NR1I2L3MBTL1MAPT | |
| SCHEMBL9087864 | 0.75 | NR1I2 (0.47) | CYP3A4CYP2D6NR1I2L3MBTL1MAPT | |
| SCHEMBL8670645 | 0.75 | CYP3A4 (0.48) | CYP3A4CYP2D6NR1I2L3MBTL1MAPT | |
| SCHEMBL8553518 | 0.75 | NR1I2 (0.49) | CYP3A4CYP2D6NR1I2L3MBTL1MAPT | |
| SCHEMBL9200266 | 0.75 | NR1I2 (0.73) | CYP3A4CYP2D6NR1I2L3MBTL1MAPT | |
| SCHEMBL8924971 | 0.74 | NR1I2 (0.69) | CYP3A4CYP2D6NR1I2HDAC6HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5618821-A | VIRICIDES, PICORNAVIRUS | SANOFI, S.A. (FR) | 1997-04-08 | — | — | US | disclosed |