Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2239090 | 1.00 | POLB (0.46) | POLBMAPTHPGDLMNAGAA | |
| SCHEMBL2239088 | 1.00 | POLB (0.46) | POLBMAPTHPGDLMNAGAA | |
| SCHEMBL2232374 | 0.84 | NFE2L2 (0.53) | POLBMAPTLMNAGAATSHR | |
| SCHEMBL3310563 | 0.84 | NFE2L2 (0.53) | POLBMAPTLMNAGAATSHR | |
| SCHEMBL2232370 | 0.84 | NFE2L2 (0.53) | POLBMAPTLMNAGAATSHR | |
| SCHEMBL933237 | 0.82 | MAPT (0.45) | MAPTHPGDLMNAGAATSHR | |
| SCHEMBL933235 | 0.82 | MAPT (0.45) | MAPTHPGDLMNAGAATSHR | |
| SCHEMBL629545 | 0.81 | ALDH1A1 (0.57) | MAPTHPGDLMNAGAACYP1A2 | |
| SCHEMBL629546 | 0.81 | ALDH1A1 (0.57) | MAPTHPGDLMNAGAACYP1A2 | |
| SCHEMBL2231488 | 0.81 | ALDH1A1 (0.60) | MAPTHPGDLMNAGAACYP1A2 |
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-1799206-A2 | PYRAZOLE DERIVATIVES FOR TREATING CONDITIONS MEDIATED BY ACTIVATION OF THE ADENOSINE A2B OR A3 RECEPTOR | Novartis AG (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006015860-A2 | PYRAZOLE DERIVATIVES FOR TREATING CONDITIONS MEDIATED BY ACTIVATION OF THE ADENOSINE A2B OR A3 RECEPTOR | NOVARTIS AG (CH) | 2006-02-16 | — | — | WO | disclosed |