Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 5/20 | 0.38 |
| ▸ | ABL1 | P00519 | 2/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 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 | |
|---|---|---|---|---|
| SCHEMBL29968473 | 1.00 | MAPKAPK2 (0.38) | MAPKAPK2ABL1PIM2ROCK2ROCK1 | |
| SCHEMBL23763099 | 0.95 | PIM1 (0.38) | MAPKAPK2ABL1NPY5RPIM1KIT | |
| SCHEMBL29968465 | 0.95 | PIM1 (0.38) | MAPKAPK2ABL1NPY5RPIM1KIT | |
| SCHEMBL29967990 | 0.95 | ALDH1A1 (0.42) | MAPKAPK2ABL1PIM2ROCK2ROCK1 | |
| SCHEMBL23763037 | 0.95 | ALDH1A1 (0.42) | MAPKAPK2ABL1PIM2ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL29968224 | 0.95 | PIM1 (0.38) | MAPKAPK2ABL1NPY5RPIM1KIT | |
| Hydrochloric Acid SCHEMBL29968440 | 0.94 | ALDH1A1 (0.41) | MAPKAPK2ABL1PIM2ROCK2ROCK1 | |
| SCHEMBL23763087 | 0.93 | PIM1 (0.40) | MAPKAPK2ABL1ROCK2ROCK1CDC42BPA | |
| SCHEMBL29968006 | 0.93 | PIM1 (0.40) | MAPKAPK2ABL1ROCK2ROCK1CDC42BPA | |
| Hydrochloric Acid SCHEMBL29968459 | 0.92 | PIM1 (0.40) | MAPKAPK2ABL1ROCK2ROCK1CDC42BPA |
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-2021159993-A1 | INHIBITORS OF INTERLEUKIN-1 RECEPTOR ASSOCIATED KINASE (IRAK) /FMS-LIKE RECEPTOR TYROSINE KINASE (FLT3), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF | PHARMABLOCK SCIENCES (NANJING) , INC. (CN) | 2021-08-19 | — | — | WO | disclosed |