Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | G6PD | P11413 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 7/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21988635 | 0.80 | KMT2A (0.40) | ALDH1A1KDM4EMAPK1KMT2ALMNA | |
| SCHEMBL22046554 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPK1KMT2ALMNA | |
| SCHEMBL21988725 | 0.79 | LMNA (0.40) | ALDH1A1KDM4EMAPK1KMT2ALMNA | |
| SCHEMBL22046330 | 0.78 | ALDH1A1 (0.41) | ALDH1A1KDM4EMAPK1KMT2ALMNA | |
| SCHEMBL21988705 | 0.78 | KDM4E (0.38) | ALDH1A1KDM4EMAPK1KMT2ALMNA | |
| SCHEMBL21995703 | 0.76 | LMNA (0.36) | ALDH1A1KDM4EMAPK1KMT2ALMNA | |
| SCHEMBL21988951 | 0.76 | MAPT (0.40) | ALDH1A1KDM4EMAPK1KMT2ALMNA | |
| SCHEMBL21988904 | 0.75 | HCRTR1 (0.44) | ALDH1A1KDM4EMAPK1KMT2ALMNA | |
| SCHEMBL22046001 | 0.75 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPK1KMT2ALMNA | |
| SCHEMBL21989007 | 0.73 | PTGDR (0.41) | ALDH1A1KDM4EMAPK1KMT2ALMNA |
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-2020109994-A1 | PYRAZOLES AS MODULATORS OF HEMOGLOBIN | PFIZER INC. (US) | 2020-06-04 | — | — | WO | disclosed |