Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24658926 | 0.75 | SMN1; SMN2 (0.42) | CYP3A4ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL29941677 | 0.73 | ALDH1A1 (0.36) | ADRA2CALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL4691234 | 0.73 | ALDH1A1 (0.36) | ADRA2CALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL5047321 | 0.69 | — | — | |
| SCHEMBL31011235 | 0.69 | TP53 (0.41) | KEAP1GAAKDM4ECYP3A4CYP2D6 | |
| SCHEMBL29273699 | 0.69 | TP53 (0.41) | KEAP1GAAKDM4ECYP3A4CYP2D6 | |
| SCHEMBL13501878 | 0.69 | — | — | |
| SCHEMBL5665636 | 0.69 | AADAT (0.33) | GAAKDM4EALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL112247 | 0.66 | MEN1 (0.54) | KDM4EALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL2525217 | 0.66 | CYP2C9 (0.47) | GAACYP3A4CYP2D6CYP2C9CYP2C19 |
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-9919288-B2 | ZIF-containing adsorbent materials and uses thereof | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2018-03-20 | — | — | US | disclosed |