Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11354574 | 0.89 | DRD2 (0.44) | GAADRD2DRD4S1PR1PARP1 | |
| SCHEMBL11350954 | 0.83 | DRD2 (0.50) | GAADRD2DRD4S1PR1PARP1 | |
| SCHEMBL11358716 | 0.81 | DRD2 (0.51) | GAADRD2DRD4S1PR1PARP1 | |
| SCHEMBL5958650 | 0.79 | DRD2 (0.52) | GAADRD2DRD4S1PR1PARP1 | |
| SCHEMBL4991137 | 0.77 | PARP10 (0.56) | GAADRD2DRD4S1PR1PARP1 | |
| SCHEMBL11359502 | 0.77 | GAA (0.47) | GAADRD2DRD4S1PR1PARP1 | |
| SCHEMBL11356206 | 0.76 | DRD2 (0.49) | GAADRD2DRD4S1PR1PARP1 | |
| Hydrochloric Acid SCHEMBL11359815 | 0.75 | DRD2 (0.47) | GAADRD2DRD4S1PR1PARP1 | |
| SCHEMBL6490339 | 0.73 | GAA (0.62) | GAADRD2DRD4MAPTKDM4E | |
| SCHEMBL3625824 | 0.72 | GAA (0.57) | GAADRD2DRD4MAPTKDM4E |
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-4251659-A | Polyfluorohydroxyisopropyl-heterocyclic compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-02-17 | — | — | US | disclosed |
| US-4218448-A | Antihypertensive polyfluorohydroxyisopropyl bicyclic and tricyclic carbostyrils | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-08-19 | — | — | US | disclosed |