Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8603712 | 0.89 | NR1I2 (0.37) | NR1I2CYP3A4CYP2D6ALDH1A1ATM | |
| SCHEMBL9275630 | 0.82 | NR1I2 (0.32) | NR1I2CYP3A4CYP2D6ALDH1A1ATM | |
| SCHEMBL8558294 | 0.81 | NR1I2 (0.41) | NR1I2CYP3A4CYP2D6NPC1NFKB1 | |
| SCHEMBL8553780 | 0.80 | NPC1 (0.36) | NR1I2CYP3A4CYP2D6NPC1NFKB1 | |
| SCHEMBL8555648 | 0.79 | NR1I2 (0.33) | NR1I2CYP3A4CYP2D6ALDH1A1ATM | |
| SCHEMBL8824428 | 0.79 | NR1I2 (0.39) | NR1I2CYP3A4CYP2D6NPC1NFKB1 | |
| SCHEMBL8605399 | 0.79 | NR1I2 (0.36) | NR1I2CYP3A4CYP2D6NPC1NFKB1 | |
| SCHEMBL9268316 | 0.78 | TTR (0.34) | ALDH1A1SMN1; SMN2MAPTKMT2AHPGD | |
| SCHEMBL8824414 | 0.78 | NR1I2 (0.39) | NR1I2CYP3A4CYP2D6NPC1NFKB1 | |
| SCHEMBL8824438 | 0.78 | NR1I2 (0.39) | NR1I2CYP3A4CYP2D6ALDH1A1NPC1 |
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-5846986-A | Therapeutic phenoxyalkylazoles and phenoxyalkylazines | SANOFI (FR) | 1998-12-08 | — | — | US | disclosed |
| US-5721261-A | TREATING PICORNAVIRUS INFECTIONS | SANOFI PHARMACEUTICALS, INC. (US) | 1998-02-24 | — | — | US | disclosed |