Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 4/20 | 0.36 |
| ▸ | NNMT | P40261 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12076226 | 0.88 | NR3C1 (0.35) | NR3C1NNMTCYP3A4PDE4BPIK3CB | |
| SCHEMBL3126807 | 0.71 | PDE4B (0.35) | NR3C1NNMTCYP3A4PDE4BCASP1 | |
| SCHEMBL3132549 | 0.71 | PDE4B (0.34) | NR3C1NNMTCYP3A4PDE4BPIK3CB | |
| SCHEMBL3129712 | 0.70 | PDE4B (0.36) | NR3C1NNMTCYP3A4PDE4BPIK3CB | |
| SCHEMBL3126713 | 0.69 | NNMT (0.36) | NR3C1NNMTCYP3A4PDE4BLRRK2 | |
| SCHEMBL16909250 | 0.67 | NOS3 (0.39) | PIK3CBGABRPGABRDGABRA1GABRB1 | |
| Hydrochloric Acid SCHEMBL3855171 | 0.66 | KDM6B (0.43) | NR3C1CYP3A4 | |
| SCHEMBL18594441 | 0.65 | NOS3 (0.40) | PIK3CB | |
| SCHEMBL12076584 | 0.65 | PARP1 (0.35) | NNMTPDE4BCASP1SYKLRRK2 | |
| SCHEMBL16909317 | 0.64 | NOS3 (0.32) | PIK3CB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2493875-A1 | HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-09-05 | — | — | EP | disclosed |