Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 6/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10686846 | 0.83 | KCNA5 (0.45) | KCNA5CYP19A1KCND3SMN1; SMN2SLC6A4 | |
| SCHEMBL10688688 | 0.83 | CYP3A4 (0.44) | KCNA5CYP19A1KCND3SMN1; SMN2SLC6A4 | |
| SCHEMBL10967991 | 0.82 | SMN1; SMN2 (0.53) | KCNA5CYP19A1KCND3SMN1; SMN2SLC6A4 | |
| SCHEMBL11092434 | 0.81 | IDO1 (0.44) | KCNA5CYP19A1KCND3SLC6A4SLC6A3 | |
| SCHEMBL10686842 | 0.80 | KCNA5 (0.43) | KCNA5CYP19A1KCND3SMN1; SMN2SLC6A4 | |
| SCHEMBL10692823 | 0.80 | KCNA5 (0.43) | KCNA5CYP19A1KCND3SLC6A4SLC6A3 | |
| SCHEMBL11123644 | 0.80 | CYP3A4 (0.41) | KCNA5CYP19A1KCND3SMN1; SMN2SLC6A4 | |
| SCHEMBL10968603 | 0.78 | CYP19A1 (0.51) | KCNA5CYP19A1KCND3SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL11192967 | 0.77 | CYP19A1 (0.50) | KCNA5CYP19A1KCND3SLC6A4SLC6A3 | |
| SCHEMBL10557447 | 0.77 | CYP19A1 (0.50) | KCNA5CYP19A1KCND3SLC6A4SLC6A3 |
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-4753947-A | Certain fungicidal alphabenzyl-3-pyridylmethanol, the corresponding chloro derivatives thereof or the N-oxides thereof | HOFFMANN-LA ROCHE INC. (US) | 1988-06-28 | — | — | US | disclosed |
| US-4556661-A | FUNGICIDES | HOFFMANN-LA ROCHE INC. (US) | 1985-12-03 | — | — | US | disclosed |