Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL4782074 | 0.81 | PARP1 (0.42) | PARP1 | |
| SCHEMBL7831850 | 0.80 | PARP1 (0.35) | PARP1 | |
| SCHEMBL3964411 | 0.72 | JAK2 (0.36) | NOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL3960183 | 0.70 | PARP1 (0.35) | PARP1P2RX7 | |
| SCHEMBL2212755 | 0.66 | PARP1 (0.45) | PARP1 | |
| SCHEMBL14141234 | 0.64 | MAPK1 (0.39) | PARP1NOS1NOS3NOS2 | |
| Trifluoroacetic Acid SCHEMBL3816984 | 0.59 | PARP1 (0.36) | PARP1P2RX7 | |
| Trifluoroacetic Acid SCHEMBL3085405 | 0.58 | PARP1 (0.52) | PARP1 | |
| SCHEMBL3279312 | 0.58 | PARP1 (0.49) | PARP1 | |
| Trifluoroacetic Acid SCHEMBL4782071 | 0.58 | CALCRL (0.48) | PARP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1129605-C | Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. | THOMAE GMBH DR K (DE) | 2003-12-03 | — | — | CN | disclosed |
| CN-1230196-A | Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. | THOMAE GMBH DR K (DE) | 1999-09-29 | — | — | CN | disclosed |