Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 5/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8875583 | 0.97 | NPC1 (0.56) | NPC1RAB9AL3MBTL1CYP3A4CYP2D6 | |
| SCHEMBL8132503 | 0.82 | CYP3A4 (0.62) | NPC1RAB9AL3MBTL1CYP3A4CYP2D6 | |
| SCHEMBL9173291 | 0.82 | NR1I2 (0.49) | NPC1RAB9AL3MBTL1CYP3A4CYP2D6 | |
| SCHEMBL8130263 | 0.82 | GAA (0.48) | NPC1RAB9ACYP3A4CYP2D6AOC3 | |
| SCHEMBL8136233 | 0.81 | CYP2D6 (0.66) | NPC1RAB9AL3MBTL1CYP3A4CYP2D6 | |
| SCHEMBL6067590 | 0.78 | NR1I2 (0.73) | CYP3A4CYP2D6NR1I2CYP1A2CYP2C9 | |
| SCHEMBL20844841 | 0.73 | RAB9A (0.91) | NPC1RAB9AL3MBTL1CYP3A4CYP2D6 | |
| SCHEMBL8132486 | 0.71 | CYP2D6 (0.51) | NPC1RAB9AL3MBTL1CYP3A4CYP2D6 | |
| SCHEMBL9521541 | 0.71 | AOC3 (0.43) | NPC1RAB9AL3MBTL1CYP3A4CYP2D6 | |
| SCHEMBL8875601 | 0.71 | CYP2D6 (0.53) | NPC1RAB9AL3MBTL1CYP3A4CYP2D6 |
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-5643929-A | TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES | SANOFI WINTHROP, INC. (US) | 1997-07-01 | — | — | US | disclosed |
| US-5464848-A | 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents | STERLING WINTHROP INC. (US) | 1995-11-07 | — | — | US | disclosed |