Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.38 |
| ▸ | C1S | P09871 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27930643 | 0.86 | ALDH1A1 (0.56) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| Trifluoroacetic Acid SCHEMBL28039130 | 0.84 | ALDH1A1 (0.63) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| Benzene SCHEMBL28779493 | 0.84 | CYP1A2 (0.67) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| Anthracene SCHEMBL1558998 | 0.82 | CES1 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| SCHEMBL130783 | 0.82 | CYP1A2 (0.69) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| Acrylic Acid SCHEMBL3862092 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| Methacrylic Acid SCHEMBL560416 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| Methacrylic Acid SCHEMBL6815378 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| SCHEMBL5400012 | 0.80 | CYP1A2 (0.67) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| SCHEMBL1309620 | 0.80 | CYP1A2 (0.67) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-104981249-B | Antimicrobe compound, their synthesis and its application | 英国卫生部 | 2018-06-19 | — | — | CN | disclosed |
| CN-104981249-A | Antimicrobial compounds, their synthesis and applications thereof | SEC DEP FOR HEALTH | 2015-10-14 | — | — | CN | disclosed |