Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13970809 | 0.79 | CYP3A4 (0.36) | CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1 | |
| SCHEMBL29695671 | 0.75 | PIK3CD (0.38) | CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1 | |
| SCHEMBL19151158 | 0.73 | PDE4A (0.47) | CYP3A4CYP1A2HSD17B10ALDH1A1TDP1 | |
| SCHEMBL30380197 | 0.73 | CYP1A2 (0.51) | CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1 | |
| SCHEMBL8154592 | 0.72 | — | — | |
| SCHEMBL13058583 | 0.72 | CDK1 (0.40) | CYP3A4CYP1A2HSD17B10ALDH1A1TDP1 | |
| SCHEMBL30041091 | 0.72 | HPGDS (0.42) | CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1 | |
| SCHEMBL27864358 | 0.71 | MAP2K1 (0.49) | CYP3A4CYP1A2CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL30041073 | 0.71 | CYP1A2 (0.33) | CYP3A4CYP1A2HSD17B10ALDH1A1TDP1 | |
| SCHEMBL5495399 | 0.71 | KDM4E (0.41) | CYP3A4CYP1A2HSD17B10ALDH1A1MAPK1 |
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-1325910-B1 | ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS | MITSUBISHI TANABE PHARMA CORP (JP) | 2008-09-17 | — | — | EP | disclosed |
| US-7160877-B2 | Aliphatic nitrogen-containing 5-membered ring compound | TANABE SEIYAKU CO., LTD. (JP) | 2007-01-09 | — | — | US | disclosed |