Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.38 |
| ▸ | WNT3A | P56704 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | ARG1 | P05089 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29781414 | 0.83 | KDM4E (0.49) | MAPTNAPRTCTNNB1WNT3AKDM1A | |
| SCHEMBL4535820 | 0.83 | KDM4E (0.49) | MAPTNAPRTCTNNB1WNT3AKDM1A | |
| SCHEMBL4662762 | 0.82 | MPO (0.43) | MAPTHTTALDH1A1MKNK1MKNK2 | |
| SCHEMBL17921258 | 0.81 | NAPRT (0.39) | MAPTHTTALDH1A1NAPRTADORA2A | |
| SCHEMBL21379921 | 0.81 | CYP1A2 (0.49) | MAPTHTTALDH1A1ADORA2AADORA1 | |
| SCHEMBL16320453 | 0.80 | ALDH1A1 (0.39) | MAPTHTTALDH1A1NAPRTADORA2A | |
| SCHEMBL4668812 | 0.79 | L3MBTL1 (0.57) | MAPTALDH1A1NAPRTL3MBTL1KDM1A | |
| SCHEMBL27612752 | 0.79 | KDM4E (0.44) | MAPTHTTALDH1A1NAPRTL3MBTL1 | |
| SCHEMBL18975638 | 0.79 | L3MBTL1 (0.39) | ALDH1A1NAPRTADORA2AADORA1CTNNB1 | |
| SCHEMBL6513742 | 0.78 | PLAU (0.44) | MAPTHTTMKNK1MKNK2ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023118092-A1 | PYRAZOLO[1,5-A]PYRIDO[3,2-E]PYRIMIDINES AND PYRAZOLO[1,5-A][1,3]THIAZOLO[5,4-E]PYRIMIDINES AS P2X3 INHIBITORS FOR THE TREATMENT OF NEUROGENIC DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-06-29 | — | — | WO | disclosed |