Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11737499 | 0.91 | KMT2A (0.57) | ALDH1A1KDM4ELMNAKMT2AMAPK1 | |
| SCHEMBL25004064 | 0.88 | KMT2A (0.54) | ROCK2ROCK1ALDH1A1KDM4ELMNA | |
| SCHEMBL10144825 | 0.85 | MAPK1 (0.67) | ALDH1A1KDM4ELMNAKMT2AMAPK1 | |
| SCHEMBL16523134 | 0.81 | CTSL (0.65) | L3MBTL1GAARAB9A | |
| SCHEMBL28547568 | 0.80 | CTSS (0.56) | KMT2AMAPK1MMP2SMN1; SMN2L3MBTL1 | |
| SCHEMBL26148922 | 0.80 | RAB9A (0.63) | ROCK2ROCK1ALDH1A1LMNAGAA | |
| SCHEMBL31389141 | 0.80 | RAB9A (0.63) | ROCK2ROCK1ALDH1A1LMNAGAA | |
| SCHEMBL28607027 | 0.80 | RAB9A (0.63) | ROCK2ROCK1ALDH1A1LMNAGAA | |
| SCHEMBL28299473 | 0.79 | CA2 (0.56) | ROCK2ROCK1ALDH1A1KMT2AGAA | |
| Dl-Phenylalanine SCHEMBL28584723 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNAKMT2AMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021113743-A1 | SMALL MOLECULE RPN13 INHIBITORS WITH ANTITUMOR PROPERTIES | THE JOHNS HOPKINS UNIVERSITY (US) | 2021-06-10 | — | — | WO | disclosed |