Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 7/20 | 0.54 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 6/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | GLA | P06280 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3643245 | 0.92 | PDE5A (0.63) | PDE5AHRH4ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL3638028 | 0.90 | KDM4E (0.62) | PDE5AHRH4ALDH1A1KDM4EMAPT | |
| SCHEMBL2592377 | 0.82 | PDE5A (0.77) | PDE5AHRH4ALDH1A1KDM4EMAPT | |
| SCHEMBL3639211 | 0.82 | PDE5A (0.77) | PDE5AHRH4ALDH1A1KDM4EMAPT | |
| SCHEMBL3643346 | 0.81 | PDE5A (0.79) | PDE5AHRH4ALDH1A1KDM4EMAPT | |
| SCHEMBL3779527 | 0.78 | KDM4E (0.58) | PDE5AHRH4ALDH1A1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL3641716 | 0.77 | KDM4E (0.60) | PDE5AHRH4ALDH1A1KDM4EMAPT | |
| SCHEMBL3774222 | 0.75 | CTNNB1 (0.55) | PDE5AHRH4ALDH1A1KDM4EMAPT | |
| SCHEMBL3778305 | 0.75 | KDM4E (0.65) | PDE5AHRH4ALDH1A1KDM4EMAPT | |
| SCHEMBL3640595 | 0.75 | PDE5A (0.69) | PDE5AHRH4ALDH1A1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2173346-A2 | USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS | Summit Corporation Plc (GB) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009001060-A2 | USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS | SUMMIT CORPORATION PLC (GB) | 2008-12-31 | — | — | WO | disclosed |