Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CKS1B | P61024 | 1/20 | 0.33 |
| ▸ | SKP1 | P63208 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6434534 | 1.00 | CYP1A2 (0.35) | CYP1A2CYP2C9CYP2C19ADORA1JAK2 | |
| SCHEMBL6436883 | 0.83 | ADRB2 (0.43) | L3MBTL1 | |
| SCHEMBL6436886 | 0.83 | ADRB2 (0.43) | L3MBTL1 | |
| SCHEMBL6435354 | 0.83 | GABRA2 (0.35) | CYP1A2CYP2C9CYP2C19KDM4EMEN1 | |
| SCHEMBL6435353 | 0.83 | GABRA2 (0.35) | CYP1A2CYP2C9CYP2C19KDM4EMEN1 | |
| SCHEMBL6432495 | 0.82 | ADRB2 (0.40) | SYKTP53LMNAHPGDMAPT | |
| SCHEMBL7974519 | 0.82 | ATR (0.35) | CKS1BSKP1SKP2 | |
| SCHEMBL7974523 | 0.82 | ATR (0.35) | CKS1BSKP1SKP2 | |
| SCHEMBL6436830 | 0.79 | ADRB1 (0.42) | — | |
| SCHEMBL6432460 | 0.79 | ADRB3 (0.52) | — |
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-1087943-B1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LTD (GB) | 2005-08-17 | — | — | EP | disclosed |
| US-6251925-B1 | AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR | GLAXO WELLCOME INC. | 2001-06-26 | — | — | US | disclosed |