Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | MITF | O75030 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL27824516 | 0.82 | ALDH1A1 (0.59) | ALDH1A1HPGDCYP19A1LMNANPSR1 | |
| SCHEMBL3467222 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP19A1CYP1A2CYP2D6 | |
| SCHEMBL8365319 | 0.80 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP19A1CYP1A2CYP2D6 | |
| SCHEMBL27607729 | 0.80 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP19A1CYP1A2CYP2D6 | |
| SCHEMBL6790030 | 0.80 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP19A1CYP1A2CYP2D6 | |
| SCHEMBL6226118 | 0.80 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP19A1CYP1A2CYP2D6 | |
| SCHEMBL8055167 | 0.79 | CYP19A1 (0.78) | ALDH1A1HPGDCYP19A1CYP1A2CYP2D6 | |
| SCHEMBL4316032 | 0.79 | CYP19A1 (0.78) | ALDH1A1HPGDCYP19A1CYP1A2CYP2D6 | |
| SCHEMBL8055165 | 0.79 | CYP19A1 (0.78) | ALDH1A1HPGDCYP19A1CYP1A2CYP2D6 | |
| SCHEMBL12193983 | 0.78 | ALDH1A1 (0.52) | ALDH1A1HPGDCYP19A1CYP1A2CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2393781-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-12-14 | — | — | EP | disclosed |
| EP-2382192-A2 | DIHYDROPYRIDONE AMIDES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | F. Hoffmann-La Roche AG (CH) | 2011-11-02 | — | — | EP | disclosed |
| WO-2010072647-A2 | DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |
| WO-2010072599-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |