Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.71 |
| ▸ | SHBG | P04278 | 2/20 | 0.71 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.71 |
| ▸ | THRB | P10828 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.53 |
| ▸ | PGR | P06401 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6462419 | 1.00 | ALDH1A1 (0.71) | ALDH1A1SERPINA6SHBGSLC22A1THRB | |
| SCHEMBL6462806 | 1.00 | ALDH1A1 (0.71) | ALDH1A1SERPINA6SHBGSLC22A1THRB | |
| SCHEMBL27757818 | 1.00 | ALDH1A1 (0.71) | ALDH1A1SERPINA6SHBGSLC22A1THRB | |
| SCHEMBL9030382 | 1.00 | ALDH1A1 (0.71) | ALDH1A1SERPINA6SHBGSLC22A1THRB | |
| SCHEMBL17831148 | 1.00 | ALDH1A1 (0.71) | ALDH1A1SERPINA6SHBGSLC22A1THRB | |
| SCHEMBL6463123 | 1.00 | ALDH1A1 (0.71) | ALDH1A1SERPINA6SHBGSLC22A1THRB | |
| SCHEMBL6463120 | 1.00 | ALDH1A1 (0.71) | ALDH1A1SERPINA6SHBGSLC22A1THRB | |
| SCHEMBL6462803 | 1.00 | ALDH1A1 (0.71) | ALDH1A1SERPINA6SHBGSLC22A1THRB | |
| SCHEMBL17831182 | 1.00 | ALDH1A1 (0.71) | ALDH1A1SERPINA6SHBGSLC22A1THRB | |
| SCHEMBL636275 | 1.00 | ALDH1A1 (0.71) | ALDH1A1SERPINA6SHBGSLC22A1THRB |
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-6881728-B1 | 14-β, 17-α-hydroxymethylandrostane derivatives as androgens | AKZO NOBEL N.V. (NL) | 2005-04-19 | — | — | US | disclosed |