Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
| ▸ | CDC25A | P30304 | 1/20 | 0.31 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | APAF1 | O14727 | 1/20 | 0.30 |
| ▸ | TERT | O14746 | 1/20 | 0.30 |
| ▸ | EED | O75530 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31180259 | 0.90 | DRD2 (0.38) | DRD2DRD3DRD1POLBTDP1 | |
| SCHEMBL16799581 | 0.76 | DRD2 (0.32) | DRD2DRD3DRD1CES2CES1 | |
| SCHEMBL16799145 | 0.76 | TP53 (0.35) | CES2CES1HIF1AEPAS1POLB | |
| SCHEMBL16799478 | 0.73 | DRD2 (0.36) | DRD2DRD3DRD1POLBTDP1 | |
| SCHEMBL4170720 | 0.73 | DRD2 (0.47) | DRD2DRD3DRD1POLBTDP1 | |
| SCHEMBL4181488 | 0.73 | NPC1 (0.47) | DRD2DRD3DRD1POLBTDP1 | |
| SCHEMBL31180209 | 0.68 | POLB (0.34) | DRD2DRD3DRD1POLBTDP1 | |
| SCHEMBL15635634 | 0.67 | GRM4 (0.36) | CES2CES1HIF1AEPAS1KDM1A | |
| SCHEMBL31180143 | 0.66 | DRD2 (0.38) | DRD2DRD3DRD1POLBTDP1 | |
| SCHEMBL16799483 | 0.66 | CES1 (0.33) | CES2CES1HIF1AEPAS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015083130-A1 | FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-06-11 | — | — | WO | disclosed |
| WO-2015083130-A1 | FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-06-11 | — | — | WO | disclosed |