Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2107486 | 0.77 | TSHR (0.42) | PKMTSHRCYP19A1ALDH1A1MAPT | |
| SCHEMBL2025120 | 0.77 | PKM (0.42) | PKMTSHRCYP19A1ALDH1A1MAPT | |
| SCHEMBL2856269 | 0.73 | PKM (0.39) | PKMTSHRCYP19A1ALDH1A1MAPT | |
| SCHEMBL571667 | 0.72 | CYP19A1 (0.41) | CYP19A1ALDH1A1MAPTHPGDMAOB | |
| SCHEMBL9136839 | 0.72 | PKM (0.47) | PKMTSHRCYP19A1ALDH1A1MAOB | |
| SCHEMBL4618755 | 0.72 | TSHR (0.47) | PKMTSHRCYP19A1ALDH1A1MAOB | |
| SCHEMBL29448029 | 0.72 | PKM (0.47) | PKMTSHRCYP19A1ALDH1A1MAPT | |
| SCHEMBL4618757 | 0.72 | TSHR (0.47) | PKMTSHRCYP19A1ALDH1A1MAOB | |
| SCHEMBL1133012 | 0.72 | PKM (0.47) | PKMTSHRCYP19A1ALDH1A1MAPT | |
| SCHEMBL149892 | 0.69 | ALDH1A1 (0.37) | PKMTSHRALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010042933-A9 | INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS | NORTHWESTERN UNIVERSITY (US) | 2010-07-08 | — | — | WO | disclosed |
| WO-2010042933-A2 | INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS | NORTHWESTERN UNIVERSITY (US) | 2010-04-15 | — | — | WO | disclosed |
| WO-2009049214-A2 | INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS | NORTHWESTERN UNIVERSITY (US) | 2009-04-16 | — | — | WO | disclosed |