Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 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 | |
|---|---|---|---|---|
| SCHEMBL6015687 | 0.81 | NPC1 (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL29955300 | 0.78 | KMT2A (0.44) | ALDH1A1KMT2AERN1AURKAPARP1 | |
| SCHEMBL7619964 | 0.75 | KMT2A (0.39) | CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL7486783 | 0.73 | KMT2A (0.39) | CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL7492943 | 0.71 | PDE3B (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL1714222 | 0.70 | KMT2A (0.47) | ALDH1A1KMT2AERN1AURKAPARP1 | |
| SCHEMBL7990805 | 0.69 | MAP2K1 (0.50) | CYP1A2CYP2C19ALDH1A1KMT2AERN1 | |
| SCHEMBL25206705 | 0.68 | ALOX15 (0.53) | ALDH1A1KMT2AMEN1POLBKDM4E | |
| SCHEMBL2345339 | 0.68 | KMT2A (0.47) | ALDH1A1KMT2AERN1AURKAPARP1 | |
| SCHEMBL1777902 | 0.67 | HDAC1 (0.44) | ALDH1A1KMT2AERN1AURKAPARP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7049312-B1 | Benzothiazinone and benzoxazinone compounds | ABBOTT GMBH & CO. KG (DE) | 2006-05-23 | — | — | US | disclosed |