Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 15/20 | 0.80 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.66 |
| ▸ | MAPT | P10636 | 4/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.66 |
| ▸ | ESRRG | P62508 | 3/20 | 0.66 |
| ▸ | MEN1 | O00255 | 3/20 | 0.66 |
| ▸ | PGR | P06401 | 3/20 | 0.66 |
| ▸ | TP53 | P04637 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.66 |
| ▸ | PLD2 | O14939 | 1/20 | 0.66 |
| ▸ | ESRRB | O95718 | 1/20 | 0.66 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.66 |
| ▸ | EBP | Q15125 | 4/20 | 0.65 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.65 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL1152821 | 1.00 | ESR1 (0.80) | ESR1ESR2MAPTKMT2AESRRG | |
| SCHEMBL1152819 | 1.00 | ESR1 (0.80) | ESR1ESR2MAPTKMT2AESRRG | |
| SCHEMBL10878031 | 0.93 | ESR1 (0.70) | ESR1ESR2MAPTKMT2AESRRG | |
| SCHEMBL10878039 | 0.93 | ESR1 (0.70) | ESR1ESR2MAPTKMT2AESRRG | |
| SCHEMBL17164682 | 0.91 | ESR1 (0.79) | ESR1ESR2MAPTKMT2AESRRG | |
| SCHEMBL17164687 | 0.91 | ESR1 (0.79) | ESR1ESR2MAPTKMT2AESRRG | |
| Droloxifene SCHEMBL4843 | 0.90 | ESR1 (0.82) | ESR1ESR2MAPTKMT2AESRRG | |
| Droloxifene SCHEMBL30728607 | 0.90 | ESR1 (0.82) | ESR1ESR2MAPTKMT2AESRRG | |
| Droloxifene SCHEMBL1151787 | 0.90 | ESR1 (0.82) | ESR1ESR2MAPTKMT2AESRRG | |
| Droloxifene SCHEMBL5030004 | 0.90 | ESR1 (0.82) | ESR1ESR2MAPTKMT2AESRRG |
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-2008133884-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-11-06 | — | — | WO | disclosed |