Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.40 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2568909 | 0.82 | ALDH1A1 (0.51) | ALDH1A1LMNACA1CA2CYP1A2 | |
| Aniline SCHEMBL28203025 | 0.80 | ALDH1A1 (0.61) | ALDH1A1LMNACA1CA2CYP1A2 | |
| SCHEMBL27729618 | 0.78 | ALDH1A1 (0.62) | ALDH1A1LMNACA1CA2CYP1A2 | |
| SCHEMBL1133138 | 0.77 | ALDH1A1 (0.53) | ALDH1A1LMNACA1CA2CYP1A2 | |
| SCHEMBL2633946 | 0.76 | ALDH1A1 (0.50) | ALDH1A1LMNACA1CA2HPGD | |
| SCHEMBL96535 | 0.76 | ALDH1A1 (0.50) | ALDH1A1LMNACA1CA2HPGD | |
| SCHEMBL3467224 | 0.73 | ALDH1A1 (0.43) | ALDH1A1LMNACA1CA2CYP1A2 | |
| SCHEMBL9439646 | 0.72 | ALDH1A1 (0.58) | ALDH1A1LMNACA1CA2CYP1A2 | |
| SCHEMBL6473128 | 0.72 | CYP1A2 (0.57) | ALDH1A1LMNACA1CA2CYP1A2 | |
| SCHEMBL12193981 | 0.72 | ALDH1A1 (0.51) | ALDH1A1LMNACA1CA2CYP1A2 |
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-2393781-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010072599-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |