Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.69 |
| ▸ | SHBG | P04278 | 6/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.69 |
| ▸ | LMNA | P02545 | 5/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.69 |
| ▸ | SERPINA6 | P08185 | 4/20 | 0.69 |
| ▸ | SNCA | P37840 | 4/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.69 |
| ▸ | TSHR | P16473 | 4/20 | 0.69 |
| ▸ | BLM | P54132 | 3/20 | 0.69 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.69 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.69 |
| ▸ | NR3C1 | P04150 | 5/20 | 0.63 |
| ▸ | PGR | P06401 | 5/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | HTR2B | P41595 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.62 |
| ▸ | AR | P10275 | 4/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL14532645 | 1.00 | CYP19A1 (0.69) | CYP19A1SHBGHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL18646434 | 1.00 | CYP19A1 (0.69) | CYP19A1SHBGHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL11860013 | 1.00 | CYP19A1 (0.69) | CYP19A1SHBGHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL950793 | 1.00 | CYP19A1 (0.69) | CYP19A1SHBGHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL13973080 | 1.00 | CYP19A1 (0.69) | CYP19A1SHBGHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL950792 | 1.00 | CYP19A1 (0.69) | CYP19A1SHBGHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL14455585 | 1.00 | CYP19A1 (0.69) | CYP19A1SHBGHSD17B10SMN1; SMN2LMNA | |
| Androstenedione SCHEMBL21114424 | 0.87 | CYP19A1 (0.71) | CYP19A1SHBGHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL9157360 | 0.84 | SHBG (0.66) | CYP19A1SHBGHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL5925784 | 0.84 | CYP19A1 (0.57) | CYP19A1SHBGHSD17B10SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-8580231-B2 | Compositions and methods comprising magnetic resonance contrast agents | NORTHWESTERN UNIVERSITY (US) | 2013-11-12 | — | — | US | disclosed |