Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.62 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.62 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.46 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.43 |
| ▸ | RHOA | P61586 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4872864 | 0.90 | ADRB2 (0.62) | ADRB2ADRB1ADRB3ALDH1A1KDM4E | |
| SCHEMBL9364192 | 0.89 | CYP3A4 (0.53) | ADRB2ADRB1ADRB3ALDH1A1CYP3A4 | |
| SCHEMBL20520164 | 0.88 | MAPK1 (0.52) | ADRB2ADRB1ADRB3ALDH1A1CYP3A4 | |
| SCHEMBL157805 | 0.87 | CYP3A4 (0.61) | ADRB2ADRB1ADRB3ALDH1A1CYP3A4 | |
| SCHEMBL16372021 | 0.87 | CYP3A4 (0.61) | ADRB2ADRB1ADRB3ALDH1A1CYP3A4 | |
| SCHEMBL758035 | 0.86 | ADRB2 (0.61) | ADRB2ADRB1ADRB3ALDH1A1KDM4E | |
| Benzene SCHEMBL29140663 | 0.85 | CYP3A4 (0.59) | ADRB2ADRB1ADRB3ALDH1A1CYP3A4 | |
| SCHEMBL12904275 | 0.85 | CYP3A4 (0.49) | ADRB2ADRB1ADRB3ALDH1A1CYP3A4 | |
| SCHEMBL30625938 | 0.85 | ADRB2 (0.57) | ADRB2ADRB1ADRB3ALDH1A1CYP3A4 | |
| SCHEMBL29784242 | 0.84 | NPC1 (0.67) | ADRB2ADRB1ADRB3ALDH1A1KDM4E |
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-1036006-C | Antibiotic compounds | ZENECA LTD (GB) | 1997-10-01 | — | — | CN | disclosed |
| CN-1079224-A | Antifungal compound | ZENECA LTD (GB) | 1993-12-08 | — | — | CN | disclosed |