Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18184521 | 0.78 | TSHR (0.42) | TSHRGAAPIM1GSK3BROCK2 | |
| SCHEMBL24578001 | 0.78 | — | — | |
| SCHEMBL1992513 | 0.77 | GAA (0.44) | TSHRGAAPIM1GSK3BROCK2 | |
| SCHEMBL29438437 | 0.77 | TSHR (0.62) | TSHRGAAPIM1GSK3BROCK2 | |
| SCHEMBL20929048 | 0.75 | — | — | |
| SCHEMBL31421937 | 0.74 | TSHR (0.46) | TSHRGAAPLK1ALDH1A1MEN1 | |
| SCHEMBL353369 | 0.73 | DDR1 (0.47) | TSHRGAAROCK2ALDH1A1LMNA | |
| SCHEMBL24578200 | 0.69 | — | — | |
| SCHEMBL24433138 | 0.67 | PLK4 (0.64) | TSHRGAAPLK1ALDH1A1MEN1 | |
| SCHEMBL24112335 | 0.67 | METTL3 (0.55) | PLK1YTHDC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3164406-A1 | BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF | Rempex Pharmaceuticals, Inc. (US) | 2017-05-10 | — | — | EP | disclosed |
| WO-2016003929-A1 | BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF | REMPEX PHARMACEUTICALS, INC. (US) | 2016-01-07 | — | — | WO | disclosed |