Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PTAFR | P25105 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8600685 | 0.90 | SRC (0.33) | NPC1TP53RAB9AMGAMGAA | |
| SCHEMBL8597829 | 0.87 | CYP11B1 (0.38) | CYP19A1CYP11B1CYP11B2POLBAKR1C3 | |
| SCHEMBL8599353 | 0.86 | PTAFR (0.37) | CYP19A1CYP2D6CYP2C9CYP2C19CYP11B1 | |
| SCHEMBL8603472 | 0.85 | DCTPP1 (0.33) | NPC1TP53RAB9A | |
| SCHEMBL8600391 | 0.82 | PTAFR (0.40) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8598142 | 0.81 | CYP19A1 (0.38) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8603644 | 0.81 | PTAFR (0.39) | CYP2D6CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL7552366 | 0.80 | NPC1 (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL7552360 | 0.80 | NPC1 (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL8599926 | 0.80 | NPC1 (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5779934-A | FLUORINATING AN ALCOHOL DERIVATIVE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |