Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6829455 | 0.83 | HSP90AB1 (0.41) | TSHRHTTSMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL1187327 | 0.83 | ALDH1A1 (0.38) | ALDH1A1GPR35MAPTMEN1KMT2A | |
| SCHEMBL1969526 | 0.81 | FFAR1 (0.50) | TSHRHPGDHSD17B10ALDH1A1MEN1 | |
| SCHEMBL5990756 | 0.80 | HSP90AB1 (0.47) | PDE3BPDE3ATSHRHTTMAPK1 | |
| SCHEMBL1175089 | 0.78 | CYP4F2 (0.41) | TSHRHPGDHSD17B10ALDH1A1GPR35 | |
| SCHEMBL28407881 | 0.77 | MAPT (0.43) | TSHRHTTHPGDHSD17B10ALDH1A1 | |
| SCHEMBL6832152 | 0.77 | GPR35 (0.38) | TSHRHTTSMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL2154006 | 0.76 | TTR (0.39) | TSHRALDH1A1GPR35MEN1KMT2A | |
| SCHEMBL15061431 | 0.75 | NOS3 (0.38) | HPGDGPR35MAPTGAARAB9A | |
| SCHEMBL3208670 | 0.75 | ALDH1A1 (0.34) | ALDH1A1GPR35CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019197274-A1 | PROCESS FOR THE PREPARATION OF OPIOID MODULATORS | QUIMICA SINTETICA, S. A. (ES) | 2019-10-17 | — | — | WO | disclosed |