Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | PRCP | P42785 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3227453 | 0.92 | AURKA (0.38) | MAPTAURKAALDH1A1ADORA1ADORA3 | |
| SCHEMBL3236000 | 0.90 | AURKA (0.40) | AKT1MAPTAURKAPRCPSIGMAR1 | |
| SCHEMBL3225921 | 0.85 | ADORA1 (0.36) | MAPTAURKAALDH1A1ADORA1ADORA3 | |
| SCHEMBL3232625 | 0.85 | AKT1 (0.40) | AKT1MAPTALDH1A1ADORA1ADORA3 | |
| SCHEMBL3221032 | 0.82 | AURKA (0.41) | MAPTAURKAALDH1A1ADORA1ADORA3 | |
| SCHEMBL3234072 | 0.81 | AKT1 (0.46) | AKT1MAPTADORA1ADORA3ADORA2A | |
| SCHEMBL3227596 | 0.81 | AKT1 (0.42) | AKT1MAPTPOLBADORA1ADORA3 | |
| SCHEMBL13456904 | 0.79 | VCP (0.48) | — | |
| SCHEMBL3264602 | 0.78 | AKT1 (0.40) | AKT1MAPTADORA1ADORA3ADORA2A | |
| SCHEMBL3228961 | 0.78 | MAPT (0.47) | AKT1MAPTPOLBLMNATHRB |
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-2010028179-A1 | HETEROCYCLIC COMPOUNDS AS GATA MODULATORS | DR. REDDY'S LABORATORIES LTD. (IN) | 2010-03-11 | — | — | WO | disclosed |