Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14727934 | 0.91 | ABCG2 (0.61) | ABCG2ABCB1MAPTNPSR1MAP4K4 | |
| SCHEMBL14474071 | 0.85 | MCL1 (0.51) | ABCG2ABCB1MAPTNPSR1MAP4K4 | |
| SCHEMBL14474980 | 0.85 | ABCG2 (0.62) | ABCG2ABCB1MAPTNPSR1MAP4K4 | |
| SCHEMBL14475037 | 0.82 | MEN1 (0.59) | ABCG2ABCB1MAPTNPSR1MAP4K4 | |
| SCHEMBL14474404 | 0.81 | ABCG2 (0.62) | ABCG2ABCB1MAPTNPSR1CYP1A2 | |
| SCHEMBL14475168 | 0.81 | PIK3CA (0.49) | ABCG2MAPTNPSR1MAP4K4POLB | |
| SCHEMBL14475072 | 0.80 | MAP4K4 (0.53) | ABCG2MAPTMAP4K4POLBCYP1A2 | |
| SCHEMBL14474998 | 0.80 | ABCG2 (0.55) | ABCG2MAPTMAP4K4POLBCYP1A2 | |
| SCHEMBL14475593 | 0.80 | MEN1 (0.54) | ABCG2ABCB1MAPTNPSR1CYP1A2 | |
| SCHEMBL18023076 | 0.79 | POLB (0.49) | ABCG2MAP4K4POLBCYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3056207-B1 | THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | OTSUKA PHARMA CO LTD (JP) | 2018-06-20 | — | — | EP | disclosed |