Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6013870 | 0.90 | SMN1; SMN2 (0.54) | SMN1; SMN2MAPTRAB9ATSHRMAPK1 | |
| SCHEMBL10344244 | 0.81 | RAB9A (0.60) | SMN1; SMN2MAPTRAB9ATSHRMAPK1 | |
| SCHEMBL8163196 | 0.80 | CA12 (0.47) | MAPTTSHRMAPK1CYP1A2CYP2C19 | |
| SCHEMBL10719302 | 0.80 | RAB9A (0.67) | SMN1; SMN2MAPTRAB9ACYP1A2CYP2D6 | |
| SCHEMBL2182918 | 0.78 | TSHR (0.66) | SMN1; SMN2MAPTRAB9ATSHRMAPK1 | |
| SCHEMBL9966599 | 0.78 | MAPT (0.56) | SMN1; SMN2MAPTRAB9ATSHRMAPK1 | |
| SCHEMBL10557663 | 0.78 | MAPT (0.69) | SMN1; SMN2MAPTRAB9ACYP1A2CYP2D6 | |
| SCHEMBL29119234 | 0.77 | SMN1; SMN2 (0.59) | SMN1; SMN2MAPTRAB9ACYP1A2CYP2D6 | |
| SCHEMBL17557089 | 0.77 | TSHR (0.60) | SMN1; SMN2MAPTRAB9ATSHRMAPK1 | |
| SCHEMBL6790333 | 0.76 | TDP1 (0.71) | SMN1; SMN2MAPTRAB9ACYP1A2CYP2D6 |
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-2005080406-A2 | COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2005-09-01 | — | — | WO | disclosed |