Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | JUN | P05412 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL123322 | 1.00 | KDM4E (0.53) | KDM4EALDH1A1NPSR1HPGDIDO1 | |
| SCHEMBL973413 | 0.86 | ALOX15 (0.45) | KDM4EALDH1A1NPSR1HPGDMAPT | |
| SCHEMBL125580 | 0.84 | KDM4E (0.52) | KDM4EALDH1A1NPSR1HPGDIDO1 | |
| SCHEMBL28912380 | 0.83 | TSHR (0.52) | KDM4EALDH1A1NPSR1HPGDMAPT | |
| SCHEMBL125663 | 0.82 | KDM4E (0.53) | KDM4EALDH1A1NPSR1HPGDIDO1 | |
| SCHEMBL1680890 | 0.82 | MAOA (0.47) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL8832375 | 0.82 | BRD4 (0.49) | KDM4EALDH1A1HPGDMAPTTSHR | |
| SCHEMBL27838050 | 0.81 | KDM4E (0.50) | KDM4EALDH1A1NPSR1HPGDIDO1 | |
| SCHEMBL13312285 | 0.81 | MGLL (0.44) | KDM4EALDH1A1JUNNFKB1NFKB2 | |
| SCHEMBL3433408 | 0.81 | MGLL (0.43) | KDM4EALDH1A1NFKB1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3455224-B1 | SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF | BAYER AG (DE) | 2024-03-27 | — | — | EP | disclosed |