Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 10/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 10/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10343418 | 0.88 | ADRB1 (0.42) | ADRB1ADRB3ADRB2CYP1A2ABCB1 | |
| SCHEMBL8957358 | 0.81 | ITGB3 (0.45) | CYP1A2 | |
| SCHEMBL8842690 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL8957356 | 0.80 | ITGB3 (0.47) | CYP1A2 | |
| SCHEMBL8842428 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL8842421 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL8672662 | 0.72 | MAOB (0.42) | — | |
| SCHEMBL6047708 | 0.71 | EPOR (0.40) | — | |
| SCHEMBL6047694 | 0.71 | EPOR (0.40) | — | |
| SCHEMBL8099655 | 0.70 | LDHA (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5482700-A | Substituted polyamino, polycarboxy complexing agent dimers for MRI and X-ray contrast | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-01-09 | — | — | US | disclosed |