Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | YAP1 | P46937 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3249206 | 0.85 | EPHX1 (0.60) | EPHX1EPHX2NPSR1ALDH1A1MAPT | |
| SCHEMBL3249205 | 0.85 | EPHX1 (0.60) | EPHX1EPHX2NPSR1ALDH1A1MAPT | |
| SCHEMBL27693908 | 0.76 | EPHX1 (0.61) | EPHX1EPHX2NPSR1ALDH1A1MAPT | |
| SCHEMBL27693907 | 0.76 | EPHX1 (0.61) | EPHX1EPHX2NPSR1ALDH1A1MAPT | |
| SCHEMBL2585461 | 0.74 | PTPN2 (0.49) | EPHX1MAPK1MEN1KMT2AYAP1 | |
| SCHEMBL7501015 | 0.73 | MAPT (0.42) | ALDH1A1MAPTMAPK1L3MBTL1NPC1 | |
| SCHEMBL14497217 | 0.70 | EPHX1 (0.58) | EPHX1EPHX2ALDH1A1MAPTMAPK1 | |
| SCHEMBL3248423 | 0.70 | EPHX1 (0.61) | EPHX1EPHX2NPSR1ALDH1A1MAPT | |
| SCHEMBL3248424 | 0.70 | EPHX1 (0.61) | EPHX1EPHX2NPSR1ALDH1A1MAPT | |
| SCHEMBL363474 | 0.69 | GABRP (0.41) | EPHX1EPHX2ALDH1A1MAPTMEN1 |
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-1856100-A4 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-04-15 | — | — | EP | disclosed |
| EP-1856100-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006078554-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-07-27 | — | — | WO | disclosed |