Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 4/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | CUL4A | Q13619 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1701113 | 0.85 | KDM4E (0.49) | EPHX2KDM4EALDH1A1HSD17B10GLA | |
| SCHEMBL2489749 | 0.85 | KDM4E (0.40) | CREBBPGRM5EPHX2SYKKDM4E | |
| SCHEMBL1285858 | 0.79 | SYK (0.35) | CREBBPGRM5EPHX2SYKNOS1 | |
| SCHEMBL3963897 | 0.79 | KMT2A (0.43) | EPHX2KDM4EALDH1A1HSD17B10KMT2A | |
| SCHEMBL1285701 | 0.77 | CREBBP (0.58) | CREBBPGRM5EPHX2SYKKDM4E | |
| SCHEMBL14563058 | 0.75 | CREBBP (0.61) | CREBBPKDM4EALDH1A1TSHRNOS1 | |
| SCHEMBL4065260 | 0.75 | KDM4E (0.37) | KDM4EALDH1A1HSD17B10GLAGAA | |
| SCHEMBL3634731 | 0.72 | NOS1 (0.51) | CREBBPTSHRNOS1NOS3NOS2 | |
| SCHEMBL4497890 | 0.72 | CREBBP (0.39) | CREBBPGRM5EPHX2SYKKDM4E | |
| SCHEMBL16435084 | 0.72 | SYK (0.46) | CREBBPGRM5EPHX2SYKNOS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379529-B1 | CGRP-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-06-10 | — | — | EP | disclosed |
| EP-2379529-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010070022-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-06-24 | — | — | WO | disclosed |