Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | PTAFR | P25105 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5165371 | 0.81 | LMNA (0.44) | LMNACYP11B1CYP11B2CYP19A1ACACB | |
| SCHEMBL2038082 | 0.78 | LRRK2 (0.50) | LMNAHTR1ADRD2NOS3NOS1 | |
| SCHEMBL13428030 | 0.78 | CYP19A1 (0.58) | LMNAHTR1ADRD2NOS3NOS1 | |
| SCHEMBL17323482 | 0.76 | HTR1A (0.54) | LMNAHTR1ADRD2NOS3NOS1 | |
| SCHEMBL2038362 | 0.76 | HTR1A (0.51) | HTR1ADRD2NOS3NOS1NOS2 | |
| SCHEMBL1028598 | 0.73 | HTR1A (0.61) | HTR1ADRD2NOS3NOS1NOS2 | |
| SCHEMBL30697112 | 0.73 | HTR1A (0.43) | LMNAHTR1ADRD2HSD17B10CYP11B1 | |
| SCHEMBL22711531 | 0.73 | HTR1A (0.43) | LMNAHTR1ADRD2HSD17B10CYP11B1 | |
| SCHEMBL5164933 | 0.73 | CHEK1 (0.49) | HSD17B10CHEK1ACACB | |
| SCHEMBL17629916 | 0.73 | CYP11B1 (0.50) | HTR1ADRD2NOS3NOS1NOS2 |
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 |