Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 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 | |
|---|---|---|---|---|
| SCHEMBL8733650 | 0.85 | ESR2 (0.47) | ESR2MAPTALDH1A1CYP2C19HIF1A | |
| SCHEMBL8728564 | 0.81 | KMT2A (0.60) | ESR2ALDH1A1RIPK1NPC1RAB9A | |
| SCHEMBL12511701 | 0.76 | KDM4E (0.41) | OPRM1DRD3ALDH1A1GRIN2DGRIN1 | |
| SCHEMBL11487041 | 0.76 | CYP2C9 (0.41) | OPRM1DRD3DRD2MAPTALDH1A1 | |
| SCHEMBL23343791 | 0.74 | OPRM1 (0.47) | OPRM1DRD3DRD2MAPTALDH1A1 | |
| SCHEMBL11892785 | 0.72 | MLYCD (0.33) | ALDH1A1 | |
| SCHEMBL1202058 | 0.70 | CYP2C19 (0.69) | ESR2MAPTALDH1A1CYP2C19HIF1A | |
| SCHEMBL3291465 | 0.70 | CYP2C19 (0.69) | ESR2MAPTALDH1A1CYP2C19HIF1A | |
| SCHEMBL25332888 | 0.70 | CYP2C19 (0.69) | ESR2MAPTALDH1A1CYP2C19HIF1A | |
| SCHEMBL124188 | 0.69 | CYP2C19 (0.47) | ESR2MAPTALDH1A1CYP2C19HIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0751927-A4 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INST OF TECHN (US) | 1998-07-29 | — | — | EP | disclosed |
| EP-0751927-A1 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1997-01-08 | — | — | EP | disclosed |
| WO-1995025714-A1 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1995-09-28 | — | — | WO | disclosed |