Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | BAD | Q92934 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 1/20 | 0.48 |
| ▸ | RXRB | P28702 | 1/20 | 0.48 |
| ▸ | RXRG | P48443 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7905159 | 0.81 | BCL2L1 (0.54) | ALDH1A1HTTSMN1; SMN2NPSR1BCL2L1 | |
| SCHEMBL12101466 | 0.81 | MEN1 (0.56) | ALDH1A1HTTSMN1; SMN2NPSR1BCL2L1 | |
| SCHEMBL7961751 | 0.80 | SIGMAR1 (0.51) | ALDH1A1HTTSMN1; SMN2NPSR1BCL2L1 | |
| SCHEMBL20866604 | 0.80 | ALDH1A1 (0.53) | ALDH1A1HTTSMN1; SMN2NPSR1BCL2L1 | |
| SCHEMBL7964661 | 0.80 | SIGMAR1 (0.51) | ALDH1A1HTTSMN1; SMN2NPSR1BCL2L1 | |
| SCHEMBL7262779 | 0.78 | SIGMAR1 (0.53) | ALDH1A1HTTSMN1; SMN2NPSR1BCL2L1 | |
| SCHEMBL3366873 | 0.78 | ALDH1A1 (0.54) | ALDH1A1HTTSMN1; SMN2NPSR1BCL2L1 | |
| SCHEMBL20798608 | 0.76 | ALDH1A1 (0.49) | ALDH1A1HTTSMN1; SMN2NPSR1BCL2L1 | |
| SCHEMBL9226612 | 0.76 | KDM4E (0.51) | ALDH1A1HTTSMN1; SMN2NPSR1BCL2L1 | |
| SCHEMBL8887849 | 0.76 | HTT (0.56) | ALDH1A1HTTSMN1; SMN2NPSR1BCL2L1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3152193-B1 | TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN | HOLZGRABE ULRIKE (DE) | 2018-03-28 | — | — | EP | disclosed |