Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | COMT | P21964 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8035622 | 0.87 | COMT (0.37) | ALDH1A1SMN1; SMN2POLBLMNAHTT | |
| SCHEMBL8035683 | 0.77 | SMYD3 (0.32) | COMT | |
| SCHEMBL8041249 | 0.77 | TAS1R3 (0.35) | ALDH1A1COMT | |
| SCHEMBL8037420 | 0.75 | KMT2A (0.39) | ALDH1A1SMN1; SMN2LMNAL3MBTL1HTT | |
| SCHEMBL8038358 | 0.73 | HPGD (0.39) | ALDH1A1BACE1BACE2HPGDKDM4E | |
| SCHEMBL8035781 | 0.71 | EPHX2 (0.41) | — | |
| SCHEMBL8041445 | 0.71 | EPHX2 (0.41) | — | |
| SCHEMBL8041408 | 0.71 | SMN1; SMN2 (0.32) | ALDH1A1SMN1; SMN2POLBLMNAHTT | |
| SCHEMBL8041245 | 0.70 | MAPT (0.39) | ALDH1A1SMN1; SMN2POLBHTTKMT2A | |
| SCHEMBL8037862 | 0.70 | CYP3A4 (0.38) | ALDH1A1SMN1; SMN2LMNAHTTCOMT |
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-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |