Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | VHL | P40337 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | BRD2 | P25440 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9862957 | 0.90 | CYP3A4 (0.44) | NR1I2CYP3A4CYP2D6PPARATHRA | |
| SCHEMBL9178754 | 0.88 | CYP2D6 (0.57) | NR1I2CYP3A4CYP2D6PPARAPLA2G2A | |
| SCHEMBL9706268 | 0.88 | NR1I2 (0.45) | NR1I2CYP3A4CYP2D6PPARAPLA2G2A | |
| SCHEMBL9863134 | 0.86 | NR1I2 (0.41) | NR1I2CYP3A4CYP2D6PPARATHRA | |
| SCHEMBL9862923 | 0.84 | NR1I2 (0.45) | NR1I2CYP3A4CYP2D6PPARAPLA2G2A | |
| SCHEMBL9200429 | 0.84 | PLAU (0.49) | NR1I2CYP3A4CYP2D6PPARAPLA2G2A | |
| SCHEMBL9863245 | 0.83 | POLB (0.45) | NR1I2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL9202726 | 0.82 | CYP2D6 (0.51) | NR1I2CYP3A4CYP2D6PPARATHRA | |
| SCHEMBL9209889 | 0.81 | PPARA (0.44) | NR1I2CYP3A4CYP2D6PPARAPLA2G2A | |
| SCHEMBL9706270 | 0.79 | KDM4E (0.42) | NR1I2CYP3A4CYP2D6THRATHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5002960-A | Viricides for combating picornaviruses | STERLING DRUG, INC. (US) | 1991-03-26 | — | — | US | disclosed |
| US-4939267-A | Viricides | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |
| US-4843087-A | OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES | STERLING DRUG INC. (US) | 1989-06-27 | — | — | US | disclosed |