Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.48 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.40 |
| ▸ | RRM1 | P23921 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1689385 | 0.91 | KMT2A (0.50) | ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A | |
| SCHEMBL23188735 | 0.89 | ALDH1A1 (0.58) | ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A | |
| SCHEMBL17777241 | 0.89 | ALDH1A1 (0.58) | ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A | |
| SCHEMBL23839910 | 0.89 | ALDH1A1 (0.58) | ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A | |
| SCHEMBL861034 | 0.87 | KMT2A (0.57) | ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A | |
| SCHEMBL843281 | 0.82 | — | — | |
| SCHEMBL22917014 | 0.82 | KMT2A (0.57) | ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A | |
| SCHEMBL23696282 | 0.81 | ALDH1A1 (0.50) | ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A | |
| SCHEMBL25454649 | 0.81 | EPHX1 (0.61) | MMP8EPHX1RRM1DPP7GNAI3 | |
| SCHEMBL22210631 | 0.81 | CYP2D6 (0.53) | ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1114834-A | antidiabetic agent | OTSUKA PHARMA CO LTD (JP) | 1996-01-10 | — | — | CN | disclosed |
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |