Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | KHK | P50053 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL42607 | 0.83 | — | — | |
| Methane SCHEMBL28130731 | 0.80 | — | — | |
| Bromide SCHEMBL28185083 | 0.80 | — | — | |
| SCHEMBL21534079 | 0.80 | TTR (0.43) | ALDH1A1SMN1; SMN2LMNAMGLLKEAP1 | |
| SCHEMBL28247319 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7825024 | 0.80 | — | — | |
| SCHEMBL21574871 | 0.80 | TTR (0.43) | ALDH1A1SMN1; SMN2LMNAMGLLKEAP1 | |
| Propane SCHEMBL27593999 | 0.78 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2HTTMGLLGAA | |
| Cyclopropane SCHEMBL17713820 | 0.77 | TSHR (0.39) | ALDH1A1SMN1; SMN2LMNACTSKMGLL | |
| Acetonitrile SCHEMBL304666 | 0.76 | CA12 (0.36) | ALDH1A1SMN1; SMN2HTTMGLLGAA |
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-0687258-B1 | SUBSTITUTED IMINOACETONITRILES WITH MYOCARDIAL PROTECTIVE EFFECT | HOECHST AG (DE) | 1998-07-22 | — | — | EP | claimed |