Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1176569 | 0.86 | IKBKB (0.61) | IKBKBKDM4EMAPTHSD17B10ALDH1A1 | |
| SCHEMBL3411618 | 0.85 | EEF2K (0.39) | KDM4EMAPTHSD17B10ALDH1A1HPGD | |
| SCHEMBL3412095 | 0.82 | IKBKB (0.47) | IKBKBKDM4EMAPTHSD17B10ALDH1A1 | |
| SCHEMBL3407525 | 0.80 | LIMK1 (0.45) | IKBKBKDM4EMAPTHSD17B10ALDH1A1 | |
| SCHEMBL3408796 | 0.78 | IKBKB (0.43) | IKBKBKDM4EMAPTHSD17B10ALDH1A1 | |
| SCHEMBL3406906 | 0.77 | MAPT (0.45) | IKBKBKDM4EMAPTHSD17B10ALDH1A1 | |
| SCHEMBL3413379 | 0.77 | IKBKB (0.43) | IKBKBKDM4EMAPTHSD17B10ALDH1A1 | |
| SCHEMBL3408735 | 0.76 | IKBKB (0.42) | IKBKBKDM4EMAPTHSD17B10ALDH1A1 | |
| SCHEMBL1176022 | 0.70 | EEF2K (0.53) | IKBKBKDM4EMAPTALDH1A1HPGD | |
| SCHEMBL3408742 | 0.70 | IKBKB (0.40) | IKBKBKDM4EMAPTHSD17B10ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2260044-A2 | THIENOPYRIMIDINES | Merck Patent GmbH (DE) | 2010-12-15 | — | — | EP | claimed |
| WO-2009124653-A2 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 2009-10-15 | — | — | WO | claimed |
| EP-2260044-A2 | THIENOPYRIMIDINES | Merck Patent GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009124653-A2 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |