Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSV | O60911 | 2/20 | 0.58 |
| ▸ | CTSL | P07711 | 2/20 | 0.58 |
| ▸ | PARP1 | P09874 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.53 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.53 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.53 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.53 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.50 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.50 |
| ▸ | FASN | P49327 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31444686 | 0.83 | GRIA1 (0.55) | CTSVCTSLPARP1CA12CA9 | |
| SCHEMBL31254142 | 0.80 | CTSV (0.60) | CTSVCTSLPARP1CA12CA9 | |
| SCHEMBL9389021 | 0.78 | PARP1 (0.60) | CTSVCTSLPARP1CA12CA9 | |
| SCHEMBL2993366 | 0.78 | ALDH1A1 (0.60) | CTSVCTSLPARP1CA12CA9 | |
| SCHEMBL9389924 | 0.77 | HPGD (0.59) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL9389039 | 0.77 | PARP1 (0.51) | PARP1CA12CA9ALDH1A1MAPT | |
| SCHEMBL5989626 | 0.76 | CTSV (0.52) | CTSVCTSLPARP1CA12CA9 | |
| SCHEMBL17817428 | 0.75 | MAPT (0.58) | CTSVCTSLPARP1CA12CA9 | |
| SCHEMBL9183096 | 0.74 | CA12 (0.54) | CTSVCTSLPARP1CA12CA9 | |
| SCHEMBL7431309 | 0.74 | CYP1A2 (0.56) | CTSVCTSLPARP1ALDH1A1LMNA |
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-1994007500-A1 | 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS | WEBER ECKARD (US) | 1994-04-14 | — | — | WO | disclosed |