Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9509859 | 0.91 | TP53 (0.39) | TP53DRD2PTGDR2ADORA3ADORA2A | |
| SCHEMBL8957023 | 0.90 | TP53 (0.45) | TP53 | |
| SCHEMBL8957028 | 0.90 | TP53 (0.45) | TP53 | |
| SCHEMBL9507591 | 0.84 | FNTA (0.39) | TP53DRD2ADORA3ADORA2AADORA1 | |
| SCHEMBL8954114 | 0.81 | TP53 (0.47) | TP53 | |
| SCHEMBL7056477 | 0.81 | TP53 (0.46) | TP53ADORA3ADORA2AADORA1 | |
| SCHEMBL7056482 | 0.81 | TP53 (0.46) | TP53ADORA3ADORA2AADORA1 | |
| SCHEMBL9508507 | 0.80 | TP53 (0.36) | TP53DRD2PTGDR2ADORA3ADORA2A | |
| Hydrochloric Acid SCHEMBL9530574 | 0.80 | MAPT (0.41) | TP53DRD2APLNRADORA3ADORA2A | |
| SCHEMBL8957161 | 0.79 | TP53 (0.40) | TP53ADORA3ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0536262-A4 | SUBSTITUTED HISTIDINES | SMITHKLINE BEECHAM CORP (US) | 1996-08-14 | — | — | EP | disclosed |
| EP-0536262-A1 | SUBSTITUTED HISTIDINES | SMITHKLINE BEECHAM CORPORATION (US) | 1993-04-14 | — | — | EP | disclosed |