Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.33 |
| ▸ | MGAM | O43451 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | SI | P14410 | 3/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PTAFR | P25105 | 3/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL8601722 | 0.90 | MGAM (0.33) | CYP2D6MGAMGAASIMGAM2 | |
| SCHEMBL8601450 | 0.89 | CYP11B1 (0.41) | CYP19A1CYP3A4GBA1CYP11B1CYP11B2 | |
| SCHEMBL8598099 | 0.88 | CYP2D6 (0.38) | CYP19A1CYP2D6CYP2C9CYP2C19MGAM | |
| SCHEMBL8602104 | 0.88 | PTAFR (0.37) | CYP19A1CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8601719 | 0.85 | DCTPP1 (0.33) | MGAMGAASIMGAM2 | |
| SCHEMBL8600391 | 0.82 | PTAFR (0.40) | CYP19A1CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8600956 | 0.82 | PTAFR (0.40) | CYP19A1CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8599406 | 0.81 | CYP19A1 (0.36) | CYP19A1CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8604072 | 0.80 | CYP2D6 (0.40) | CYP2D6MGAMGAASIMGAM2 | |
| SCHEMBL7561123 | 0.80 | CYP2D6 (0.40) | CYP2D6MGAMGAASIMGAM2 |
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 |