Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 5/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.43 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.41 |
| ▸ | ABL2 | P42684 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL3786796 | 0.79 | DHODH (0.48) | TGFBR1MAPK14TGFBR2ABL2CSNK1A1 | |
| SCHEMBL3782651 | 0.74 | ALDH1A1 (0.43) | TGFBR1MAPK14TGFBR2ABL2CSNK1A1 | |
| SCHEMBL4275355 | 0.74 | TGFBR1 (0.47) | TGFBR1MAPK14TGFBR2ABL2CSNK1A1 | |
| SCHEMBL1179681 | 0.71 | KMT2A (0.61) | ALDH1A1HTTNPC1LMNARAB9A | |
| SCHEMBL434576 | 0.69 | ALDH1A1 (0.56) | MAPK14ALDH1A1HTTNPC1LMNA | |
| SCHEMBL27972994 | 0.67 | PDE10A (0.40) | ALDH1A1NPC1LMNARAB9ADHODH | |
| SCHEMBL27535758 | 0.65 | ALDH1A1 (0.53) | ALDH1A1HTTLMNAROCK1 | |
| SCHEMBL18745 | 0.64 | PDE10A (0.51) | ALDH1A1LMNADHODH | |
| SCHEMBL14688584 | 0.64 | RAB9A (0.68) | NPC1GAARAB9AL3MBTL1 | |
| SCHEMBL7850601 | 0.64 | DHODH (0.56) | ADORA3ALDH1A1HTTNPC1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3768267-A1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | Icahn School of Medicine at Mount Sinai (US) | 2021-01-27 | — | — | EP | disclosed |
| WO-2019183245-A1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2019-09-26 | — | — | WO | disclosed |