Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.55 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 3/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPR1 | P16066 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5133211 | 0.86 | KCNH2 (0.55) | KCNH2DRD4KMOCYP3A4CYP2C9 | |
| SCHEMBL706643 | 0.84 | KCNH2 (0.57) | KCNH2DRD4KMOCYP3A4CYP2C9 | |
| SCHEMBL5134628 | 0.83 | DRD4 (0.66) | KCNH2DRD4TSHRHTR1AADRA1B | |
| SCHEMBL921527 | 0.79 | KCNH2 (0.59) | KCNH2CYP3A4CYP2C9CYP2C19ADRA1B | |
| SCHEMBL709161 | 0.78 | KCNH2 (0.51) | KCNH2KMOCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16184461 | 0.76 | HTT (0.51) | KCNH2KMOCYP3A4CYP2C19TSHR | |
| SCHEMBL29093154 | 0.76 | KCNH2 (0.48) | KCNH2DRD4KMOCYP3A4CYP2C9 | |
| SCHEMBL21641747 | 0.74 | KMO (0.45) | KCNH2KMOCYP3A4TSHRTP53 | |
| SCHEMBL1047741 | 0.74 | REN (0.57) | KMOTSHRTP53HTT | |
| SCHEMBL16897903 | 0.74 | CYP3A4 (0.61) | DRD4CYP3A4CYP2C9CYP2C19TSHR |
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-1893599-A1 | COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS | AstraZeneca AB (SE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006134378-A1 | COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2006-12-21 | — | — | WO | disclosed |