Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1760980 | 0.90 | HPGDS (0.51) | ALDH1A1MEN1KMT2AL3MBTL1KDM4E | |
| SCHEMBL2932086 | 0.84 | ADORA3 (0.36) | ALDH1A1MEN1KMT2AL3MBTL1KDM4E | |
| SCHEMBL3049811 | 0.84 | MEN1 (0.42) | ALDH1A1MEN1KMT2AMAPTADORA2A | |
| SCHEMBL2931313 | 0.84 | LRRK2 (0.38) | HPGDSADORA2AADORA1 | |
| SCHEMBL2928081 | 0.84 | OGA (0.37) | ADORA3ADORA2AADORA1 | |
| SCHEMBL2930009 | 0.83 | KMT2A (0.37) | ALDH1A1MEN1KMT2AL3MBTL1KDM4E | |
| SCHEMBL2930302 | 0.82 | USP2 (0.35) | MAPTADORA3ADORA2AADORA1POLB | |
| SCHEMBL2929673 | 0.82 | SCN9A (0.42) | MEN1KMT2AADORA3ADORA2AADORA1 | |
| SCHEMBL2929672 | 0.80 | KCNH2 (0.36) | ADORA2AADORA1 | |
| SCHEMBL2930809 | 0.79 | LMNA (0.40) | ALDH1A1MEN1KMT2AKDM4EMAPT |
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-2027132-B1 | THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-09-15 | — | — | EP | claimed |