Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.40 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29860945 | 0.85 | CYP19A1 (0.54) | CYP19A1TBXAS1MELKPRMT3ROCK2 | |
| SCHEMBL3144694 | 0.85 | CYP19A1 (0.54) | CYP19A1TBXAS1MELKPRMT3ROCK2 | |
| SCHEMBL5610449 | 0.82 | KDM4E (0.58) | KDM4EALDH1A1ALOX5GAAMAPT | |
| SCHEMBL31349743 | 0.81 | CYP19A1 (0.51) | CYP19A1TBXAS1PRMT3IMPDH2PDE10A | |
| SCHEMBL30452839 | 0.81 | CYP19A1 (0.51) | CYP19A1TBXAS1MELKKDM4EALDH1A1 | |
| SCHEMBL23291124 | 0.81 | CYP19A1 (0.51) | CYP19A1TBXAS1MELKKDM4EALDH1A1 | |
| SCHEMBL6114451 | 0.81 | CYP19A1 (0.51) | CYP19A1TBXAS1PRMT3IMPDH2PDE10A | |
| SCHEMBL3127988 | 0.81 | CYP19A1 (0.51) | CYP19A1TBXAS1MELKPRMT3ROCK2 | |
| SCHEMBL27503273 | 0.81 | CYP19A1 (0.51) | CYP19A1TBXAS1MELKPRMT3ROCK2 | |
| SCHEMBL30873955 | 0.80 | CYP1A2 (0.51) | CYP19A1TBXAS1PRMT3IMPDH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010022055-A2 | INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | AMGEN INC. (US) | 2010-02-25 | — | — | WO | disclosed |
| EP-0143333-A1 | [Bis(hydroxymethyl)-methyl]-isoquinoline derivatives, process for preparing them and pharmaceutical compositions containing them | RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) | 1985-06-05 | — | — | EP | disclosed |