Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GOT1 | P17174 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12495185 | 0.82 | CYP1A2 (0.42) | CYP1A2GOT1P2RX7 | |
| SCHEMBL3712034 | 0.79 | HTR2A (0.54) | CYP1A2 | |
| SCHEMBL14152790 | 0.79 | AAK1 (0.39) | CYP1A2GOT1P2RX7 | |
| SCHEMBL14152483 | 0.79 | AAK1 (0.39) | CYP1A2GOT1P2RX7 | |
| SCHEMBL14151586 | 0.79 | AAK1 (0.39) | CYP1A2GOT1P2RX7 | |
| SCHEMBL12495184 | 0.78 | TAAR1 (0.41) | CYP1A2GOT1P2RX7 | |
| SCHEMBL3712032 | 0.77 | CYP1A2 (0.46) | CYP1A2 | |
| SCHEMBL22849136 | 0.74 | — | — | |
| SCHEMBL4417042 | 0.74 | — | — | |
| SCHEMBL4704366 | 0.72 | SLC6A2 (0.47) | CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1209063-A | Vitronection receptor antagonists | SMITHKLINE BEECHAM CORP (US) | 1999-02-24 | — | — | CN | disclosed |