Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | OGA | O60502 | 1/20 | 0.41 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17323482 | 0.83 | HTR1A (0.54) | HTR1ADRD2CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL21213375 | 0.78 | MAOB (0.69) | SMN1; SMN2CYP11B1CYP11B2VNN1MAOA | |
| Hydrochloric Acid SCHEMBL5166479 | 0.78 | CYP11B1 (0.45) | HTR1ADRD2SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL13428030 | 0.76 | CYP19A1 (0.58) | HTR1ADRD2CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL1028598 | 0.74 | HTR1A (0.61) | HTR1ADRD2CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL2038362 | 0.74 | HTR1A (0.51) | HTR1ADRD2CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL3315005 | 0.74 | HTR1A (0.51) | HTR1ADRD2CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL2038082 | 0.74 | LRRK2 (0.50) | HTR1ADRD2CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL5165973 | 0.73 | LMNA (0.42) | HTR1ADRD2CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL29857565 | 0.71 | LTA4H (0.73) | HTR1ADRD2SMN1; SMN2CYP11B1CYP11B2 |
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-1765808-A1 | BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 | ICOS Corporation (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006012308-A1 | BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 | ICOS CORPORATION (US) | 2006-02-02 | — | — | WO | disclosed |