Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL30813113 | 0.87 | GRM5 (0.40) | GRM5MAPTLMNANPSR1MAOB | |
| SCHEMBL30813048 | 0.85 | ALDH1A1 (0.49) | MAPTSMN1; SMN2ALDH1A1MEN1HTT | |
| SCHEMBL30813201 | 0.85 | SMN1; SMN2 (0.49) | SMN1; SMN2ALDH1A1LMNAMEN1HTT | |
| SCHEMBL30813097 | 0.85 | POLB (0.49) | SMN1; SMN2MEN1KMT2AMAOBADORA2A | |
| SCHEMBL30813053 | 0.84 | LMNA (0.45) | ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL30813226 | 0.82 | PREP (0.45) | GRM5 | |
| SCHEMBL30813059 | 0.82 | ALDH1A1 (0.49) | ALDH1A1HTT | |
| SCHEMBL30813188 | 0.82 | FAAH (0.39) | SIGMAR1 | |
| SCHEMBL30813135 | 0.81 | LOX (0.40) | GRM5 | |
| SCHEMBL30813172 | 0.80 | KMT2A (0.44) | ALDH1A1MEN1HTTKMT2ANPSR1 |
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 |