Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11161184 | 0.91 | ESR1 (0.44) | ESR1PHLPP2ALDH1A1GAASCN1A | |
| SCHEMBL11152946 | 0.90 | ESR1 (0.43) | ESR1PHLPP2ALDH1A1GAA | |
| SCHEMBL11167324 | 0.88 | ESR1 (0.42) | ESR1PHLPP2ALDH1A1MEN1KMT2A | |
| SCHEMBL11261651 | 0.88 | ESR1 (0.42) | ESR1ALDH1A1MEN1KMT2ASLC6A2 | |
| SCHEMBL11152928 | 0.85 | ESR1 (0.45) | ESR1PHLPP2ALDH1A1GAASLC6A2 | |
| SCHEMBL11156520 | 0.84 | ESR1 (0.44) | ESR1PHLPP2ALDH1A1MEN1KMT2A | |
| SCHEMBL11260805 | 0.83 | ABCB11 (0.58) | ESR1ALDH1A1MEN1KMT2ASLC6A2 | |
| SCHEMBL11167853 | 0.81 | ESR1 (0.46) | ESR1ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL11269495 | 0.80 | CYP2D6 (0.41) | ESR1ALDH1A1MEN1KMT2ASLC6A2 | |
| SCHEMBL11182765 | 0.80 | ESR1 (0.45) | ESR1ALDH1A1MEN1KMT2AGAA |
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-4362738-A | ANTIINFLAMMATORIES | DR. KARL THOMAE GMBH (DE) | 1982-12-07 | — | — | US | disclosed |