Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL14748439 | 0.85 | ALDH1A1 (0.38) | ALDH1A1KDM4ESMN1; SMN2GAAHPGD | |
| SCHEMBL2230778 | 0.84 | MEN1 (0.37) | ALDH1A1KDM4ESMN1; SMN2PTGDRHPGD | |
| SCHEMBL14748435 | 0.78 | CRHBP (0.40) | ALDH1A1KDM4ESMN1; SMN2GAAMAPT | |
| SCHEMBL19622180 | 0.76 | HAO1 (0.33) | ALDH1A1KDM4EGAACYP1A2 | |
| SCHEMBL24060727 | 0.72 | LMNA (0.40) | ALDH1A1SMN1; SMN2HPGDMAPTL3MBTL1 | |
| SCHEMBL8376880 | 0.70 | MEN1 (0.37) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPT | |
| SCHEMBL7865617 | 0.68 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL2231706 | 0.68 | CASP1 (0.44) | ALDH1A1KDM4ESMN1; SMN2GAAHPGD | |
| SCHEMBL7863855 | 0.67 | HTT (0.44) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPT | |
| SCHEMBL29746806 | 0.67 | HTT (0.44) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3246034-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2017-11-22 | — | — | EP | disclosed |