Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | TACR1 | P25103 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL13760951 | 0.81 | KMT2A (0.58) | HPGDKMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3435560 | 0.78 | KMT2A (0.41) | HPGDKMT2ATACR1MEN1ALDH1A1 | |
| SCHEMBL6865667 | 0.75 | CYP1A2 (0.51) | HPGDKMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4164586 | 0.74 | KMT2A (0.66) | HPGDKMT2AMEN1ALDH1A1HSP90AA1 | |
| SCHEMBL1363129 | 0.73 | KMT2A (0.55) | HPGDKMT2AMEN1HSP90AA1HTT | |
| SCHEMBL27809627 | 0.73 | MEP1B (0.46) | KMT2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6412037 | 0.70 | CYP1A2 (0.44) | HPGDKMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6412044 | 0.70 | CYP1A2 (0.44) | HPGDKMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL18587432 | 0.69 | NPSR1 (0.46) | KMT2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18112907 | 0.68 | CYP2C9 (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2249647-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | Glaxo Group Limited (GB) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009100168-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |