Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | UGT8 | Q16880 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22236774 | 0.85 | ALDH1A1 (0.52) | ALDH1A1KDM4ESMN1; SMN2TDP1CHRM5 | |
| SCHEMBL18791007 | 0.79 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2TDP1CHRM5 | |
| SCHEMBL18791006 | 0.75 | CYP11B2 (0.42) | ALDH1A1KDM4ESMN1; SMN2TDP1CHRM5 | |
| SCHEMBL18790986 | 0.75 | CYP11B2 (0.65) | ALDH1A1KDM4ESMN1; SMN2TDP1CYP11B2 | |
| SCHEMBL12082132 | 0.75 | GFER (0.57) | ALDH1A1KDM4ESMN1; SMN2TDP1CHRM5 | |
| SCHEMBL12890282 | 0.75 | ALDH1A1 (0.70) | ALDH1A1KDM4ESMN1; SMN2TDP1KMT2A | |
| SCHEMBL14299555 | 0.74 | CHRNB2 (0.55) | ALDH1A1KDM4ESMN1; SMN2CHRNB2CHRNA4 | |
| SCHEMBL18791082 | 0.74 | CYP11B2 (0.68) | ALDH1A1KDM4ESMN1; SMN2TDP1MAPT | |
| SCHEMBL23464917 | 0.73 | CHRM5 (0.75) | ALDH1A1KDM4ESMN1; SMN2TDP1CHRM5 | |
| SCHEMBL18790990 | 0.73 | ALDH1A1 (0.52) | ALDH1A1KDM4ESMN1; SMN2TDP1CHRM5 |
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-3381904-B1 | NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND | MITSUBISHI TANABE PHARMA CORP (JP) | 2021-07-28 | — | — | EP | disclosed |
| WO-2017069226-A1 | NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND | 田辺三菱製薬株式会社 | 2017-04-27 | — | — | WO | disclosed |