Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CCNC | P24863 | 2/20 | 0.46 |
| ▸ | CDK8 | P49336 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGFR | P43088 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.39 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.39 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15434162 | 0.91 | GAA (0.50) | GAAHTTSMN1; SMN2ESR1LMNA | |
| SCHEMBL15434145 | 0.86 | ESR1 (0.44) | GAAHTTSMN1; SMN2ESR1LMNA | |
| SCHEMBL15434159 | 0.85 | SMN1; SMN2 (0.53) | GAAHTTSMN1; SMN2ESR1LMNA | |
| SCHEMBL15429163 | 0.85 | ERN1 (0.38) | GAAESR1LMNADHODHERN1 | |
| SCHEMBL13580962 | 0.84 | KDM4E (0.46) | GAAHTTSMN1; SMN2ESR1LMNA | |
| SCHEMBL12953272 | 0.83 | ERN1 (0.50) | GAALMNADHODHERN1KDM4E | |
| SCHEMBL15434135 | 0.83 | IP6K1 (0.46) | GAAHTTSMN1; SMN2ESR1RXRA | |
| SCHEMBL15434144 | 0.83 | IP6K1 (0.46) | GAAHTTSMN1; SMN2ESR1RXRA | |
| SCHEMBL15434108 | 0.83 | IP6K1 (0.46) | GAAHTTSMN1; SMN2ESR1RXRA | |
| SCHEMBL15434139 | 0.82 | HTT (0.44) | GAAHTTSMN1; SMN2ESR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-8633245-B2 | PAI-1 inhibitor | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2014-01-21 | — | — | US | disclosed |