Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5158945 | 0.75 | MAPT (0.51) | CYP1A2MAPTSMN1; SMN2TP53CYP3A4 | |
| SCHEMBL14764840 | 0.71 | CYP1A2 (0.60) | CYP1A2MAPTSMN1; SMN2TP53CYP3A4 | |
| SCHEMBL15354650 | 0.67 | ALDH1A1 (0.62) | GPR84CYP1A2MAPTSMN1; SMN2CYP3A4 | |
| Potassium SCHEMBL31397834 | 0.62 | KDM4E (0.42) | GPR84CYP1A2MAPTTP53CYP3A4 | |
| SCHEMBL10806369 | 0.61 | MAPT (0.42) | MAPTSMN1; SMN2TP53CYP3A4CASP1 | |
| SCHEMBL14972359 | 0.61 | ALDH1A1 (0.55) | MAPTALDH1A1KCNH3APPKDM4E | |
| SCHEMBL2784124 | 0.60 | ALDH1A1 (0.64) | MAPTALDH1A1KCNH3KDM4EGAA | |
| SCHEMBL6898679 | 0.57 | CA1 (0.44) | GPR84MAPTSMN1; SMN2ALDH1A1KCNH3 | |
| SCHEMBL7095523 | 0.57 | CA1 (0.44) | GPR84MAPTSMN1; SMN2ALDH1A1KCNH3 | |
| SCHEMBL7099996 | 0.57 | CA1 (0.44) | GPR84MAPTSMN1; SMN2ALDH1A1KCNH3 |
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-2012022467-A2 | NOVEL BENZOQUINONE DERIVATIVES AND USE THEREOF AS MODULATORS OF MITOCHONDRIAL FUNCTION | SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) | 2012-02-23 | — | — | WO | disclosed |