Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 6/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29680758 | 1.00 | KDM4E (0.41) | KDM4EMEN1KMT2AALDH1A1HTR6 | |
| SCHEMBL29680300 | 0.80 | HRH3 (0.40) | HTR6MAOBKDR | |
| SCHEMBL29680818 | 0.77 | ADORA2A (0.46) | ALDH1A1HTR6ADORA2ABRD4KDR | |
| SCHEMBL24528641 | 0.77 | ADORA2A (0.46) | ALDH1A1HTR6ADORA2ABRD4KDR | |
| Oxalic Acid SCHEMBL29680556 | 0.77 | MOK (0.40) | KDM4EALDH1A1HTR6MAOBMAPK1 | |
| SCHEMBL24528694 | 0.75 | KDM4E (0.38) | KDM4EMEN1KMT2AALDH1A1MAPK1 | |
| SCHEMBL29680743 | 0.75 | KDM4E (0.38) | KDM4EMEN1KMT2AALDH1A1MAPK1 | |
| SCHEMBL24528665 | 0.73 | NEK1 (0.36) | ALDH1A1LMNA | |
| SCHEMBL29680982 | 0.73 | NEK1 (0.36) | ALDH1A1LMNA | |
| SCHEMBL8635393 | 0.69 | SIGMAR1 (0.46) | KDM4EMEN1KMT2ALMNAPSMD14 |
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-2022129376-A1 | 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2022-06-23 | — | — | WO | disclosed |