Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | USP7 | Q93009 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9643803 | 0.84 | HCAR2 (0.47) | ALDH1A1PIK3CAPIK3CGHCAR2HDAC6 | |
| SCHEMBL20682239 | 0.83 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2PIK3CAPIK3CGHCAR2 | |
| SCHEMBL19014329 | 0.83 | HCAR2 (0.33) | ALDH1A1RAB9ASMN1; SMN2NPC1POLB | |
| SCHEMBL21956020 | 0.82 | HDAC6 (0.41) | ALDH1A1RAB9ASMN1; SMN2NPC1HCAR2 | |
| SCHEMBL6127287 | 0.80 | ALDH1A1 (0.42) | ALDH1A1RAB9ASMN1; SMN2CCNE1CDK2 | |
| SCHEMBL18588873 | 0.78 | ALDH1A1 (0.44) | ALDH1A1RAB9ASMN1; SMN2CCNE1CDK2 | |
| SCHEMBL20486058 | 0.77 | ALDH1A1 (0.42) | ALDH1A1RAB9ASMN1; SMN2CCNE1CDK2 | |
| SCHEMBL1706134 | 0.75 | CCNE1 (0.47) | ALDH1A1RAB9ASMN1; SMN2CCNE1CDK2 | |
| SCHEMBL27259611 | 0.74 | ALDH1A1 (0.41) | ALDH1A1RAB9ASMN1; SMN2CCNE1CDK2 | |
| SCHEMBL2186354 | 0.73 | L3MBTL1 (0.39) | ALDH1A1RAB9ASMN1; SMN2CCNE1CDK2 |
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-2017103188-A1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-22 | — | — | WO | disclosed |