Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAC1 | P63000 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | BCL6 | P41182 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.30 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.30 |
| ▸ | WEE1 | P30291 | 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 | |
|---|---|---|---|---|
| SCHEMBL15064233 | 0.77 | RAC1 (0.57) | RAC1POLBMAPTTSHRMAPK1 | |
| SCHEMBL14781275 | 0.71 | GRIN2D (0.38) | MAPTHTT | |
| SCHEMBL22650914 | 0.71 | RAC1 (0.51) | RAC1CDC7POLBMAPTTSHR | |
| SCHEMBL23838379 | 0.70 | KDM4E (0.49) | MAPTTSHRMAPK1HTT | |
| SCHEMBL14107971 | 0.69 | TRPV1 (0.49) | POLBMAPTHTT | |
| SCHEMBL17562014 | 0.69 | — | — | |
| SCHEMBL21984560 | 0.69 | KDM1A (0.43) | MAPTTSHRMAPK1L3MBTL1KDM1A | |
| SCHEMBL13908728 | 0.67 | PTGER4 (0.51) | POLBMAPTTSHRMAPK1HTT | |
| SCHEMBL11932973 | 0.66 | PTGER4 (0.36) | POLBMAPTTSHRHTT | |
| SCHEMBL18792269 | 0.64 | CDC7 (0.73) | CDC7MAPTCREBBP |
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 |
|---|---|---|---|---|---|---|---|
| US-8884006-B2 | Small-molecule inhibitors of Rac1 in metastatic breast cancer | UNIVERSITY OF PUERTO RICO (US) | 2014-11-11 | — | — | US | disclosed |