Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAC1 | P63000 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | VDR | P11473 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15088596 | 0.80 | RAC1 (0.57) | RAC1MEN1KMT2ANPY5RMAPT | |
| SCHEMBL21940543 | 0.57 | GRIK2 (0.47) | KMT2ANPY5RMAPTALDH1A1HTT | |
| SCHEMBL29414239 | 0.55 | RAC1 (1.00) | RAC1MEN1KMT2ANPY5RMAPT | |
| SCHEMBL29920432 | 0.55 | RAC1 (0.79) | RAC1MEN1KMT2ANPY5RMAPT | |
| SCHEMBL29558403 | 0.55 | RAC1 (1.00) | RAC1MEN1KMT2ANPY5RMAPT | |
| SCHEMBL11843329 | 0.53 | KMT2A (0.62) | RAC1MEN1KMT2ANPY5RMAPT | |
| SCHEMBL7045530 | 0.53 | POLB (0.64) | MEN1KMT2AL3MBTL1POLBNPSR1 | |
| SCHEMBL19623580 | 0.51 | RAD52 (0.53) | MEN1KMT2AMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL9491355 | 0.51 | SIGMAR1 (0.63) | MEN1KMT2AMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL669395 | 0.51 | CREBBP (0.53) | ALDH1A1POLBNPSR1LMNA |
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 |