Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | LTA4H | P09960 | 3/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1641137 | 0.88 | LTA4H (0.61) | KDM4ELTA4HPTGS2PTGS1ALDH1A1 | |
| SCHEMBL6408582 | 0.87 | LTA4H (0.60) | KDM4ELTA4HPTGS2PTGS1ALDH1A1 | |
| SCHEMBL3382465 | 0.86 | ALDH1A1 (0.49) | KDM4ELTA4HPTGS2PTGS1ALDH1A1 | |
| SCHEMBL3386044 | 0.85 | ALDH1A1 (0.54) | KDM4ELTA4HPTGS2PTGS1ALDH1A1 | |
| SCHEMBL16973009 | 0.82 | LTA4H (0.46) | KDM4ELTA4HPTGS2PTGS1ALDH1A1 | |
| SCHEMBL22171219 | 0.82 | MAPT (0.56) | KDM4ELTA4HPTGS2PTGS1ALDH1A1 | |
| SCHEMBL6643718 | 0.79 | CYP1A2 (0.59) | KDM4EALDH1A1LMNASMN1; SMN2MAPT | |
| SCHEMBL25399700 | 0.77 | LTA4H (0.46) | KDM4ELTA4HPTGS2PTGS1MAPT | |
| SCHEMBL13736688 | 0.77 | CD38 (0.41) | KDM4ELTA4HPTGS2PTGS1ALDH1A1 | |
| SCHEMBL25398475 | 0.76 | ALDH1A1 (0.55) | KDM4ELTA4HPTGS2PTGS1ALDH1A1 |
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-2023177356-A2 | COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION | ENGINE BIOSCIENCES PTE. LTD. (SG) | 2023-09-21 | — | — | WO | disclosed |