Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7077154 | 0.78 | HTR6 (0.41) | PCSK9 | |
| SCHEMBL18482878 | 0.71 | ALDH1A1 (0.47) | KDM4ENPC1RECQLNPSR1ALDH1A1 | |
| SCHEMBL2115936 | 0.68 | ALDH1A1 (0.41) | KDM4ENPC1RECQLNPSR1ALDH1A1 | |
| SCHEMBL18483370 | 0.67 | ALDH1A1 (0.40) | KDM4ENPC1RECQLNPSR1ALDH1A1 | |
| SCHEMBL18471452 | 0.67 | ALDH1A1 (0.40) | KDM4ENPC1RECQLNPSR1ALDH1A1 | |
| SCHEMBL3469899 | 0.66 | KDM4E (0.42) | KDM4ENPC1RECQLNPSR1ALDH1A1 | |
| SCHEMBL1232645 | 0.66 | KDM4E (0.45) | KDM4ENPC1RECQLNPSR1ALDH1A1 | |
| SCHEMBL7070801 | 0.66 | ADORA2A (0.44) | KDM4ENPC1RECQLALDH1A1ALOX15 | |
| SCHEMBL2117930 | 0.65 | ALDH1A1 (0.41) | KDM4ENPC1RECQLNPSR1ALDH1A1 | |
| SCHEMBL3268785 | 0.64 | KDM4E (0.38) | KDM4ENPC1RECQLNPSR1ALDH1A1 |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |