Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | USP2 | O75604 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.54 |
| ▸ | EGFR | P00533 | 4/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL373960 | 0.82 | EGFR (0.57) | CYP1A2CYP2C19MAPK1CYP3A4CYP2D6 | |
| SCHEMBL374096 | 0.80 | CDK5 (0.61) | CYP1A2CYP2C19MAPK1CYP3A4CYP2D6 | |
| SCHEMBL22328022 | 0.79 | NPC1 (0.64) | CYP1A2CYP2C19MAPK1CYP3A4CYP2D6 | |
| SCHEMBL11919063 | 0.77 | CD274 (0.54) | CYP1A2CYP2C19MAPK1CYP3A4CYP2D6 | |
| SCHEMBL14818976 | 0.75 | KDM4E (0.50) | CYP1A2CYP2C19MAPK1CYP2D6HPGD | |
| SCHEMBL21645363 | 0.73 | KMO (0.65) | CYP1A2CYP2C19MAPK1CYP3A4CYP2D6 | |
| SCHEMBL27317919 | 0.73 | EGFR (0.49) | CYP1A2CYP2C19MAPK1CYP3A4CYP2D6 | |
| SCHEMBL3225967 | 0.73 | EGFR (0.57) | CYP1A2CYP2C19MAPK1CYP3A4CYP2D6 | |
| SCHEMBL18153382 | 0.72 | POLB (0.57) | CYP1A2CYP2C19MAPK1CYP3A4CYP2D6 | |
| SCHEMBL13963083 | 0.72 | RAB9A (0.71) | CYP1A2CYP2C19MAPK1CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104203939-A | Diaminopyrimidines as human Respiratory Syncytial Virus (RSV) inhibitors | ABBVIE INC | 2014-12-10 | — | — | CN | disclosed |