Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL20658188 | 0.90 | ADRB2 (0.39) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL1162541 | 0.83 | ADRB2 (0.35) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL4075267 | 0.75 | ADRB2 (0.45) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL4140508 | 0.75 | ADRB2 (0.36) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL20658156 | 0.73 | — | — | |
| SCHEMBL9357445 | 0.70 | ADRB2 (0.41) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL49555 | 0.69 | ADRB2 (0.45) | ADRB2ADRB1ADRB3CYP3A4TSHR | |
| SCHEMBL14777354 | 0.69 | — | — | |
| SCHEMBL17633688 | 0.68 | CA1 (0.32) | TSHRCA1CA2 | |
| SCHEMBL119150 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10711075-B2 | Method of preparing rubber composition including syndiotactic 1,2-polybutadiene | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2020-07-14 | — | — | US | disclosed |
| US-20190023815-A1 | METHOD OF PREPARING RUBBER COMPOSITION INCLUDING SYNDIOTACTIC 1,2-POLYBUTADIENE | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2019-01-24 | — | — | US | disclosed |