Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | PARP14 | Q460N5 | 5/20 | 0.46 |
| ▸ | MASP2 | O00187 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ATR | Q13535 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4062098 | 0.81 | PARP14 (0.50) | ALDH1A1PARP14MASP2KDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4064801 | 0.80 | PARP14 (0.49) | ALDH1A1PARP14KDM4ESMN1; SMN2GAA | |
| SCHEMBL13655161 | 0.79 | ALDH1A1 (0.56) | ALDH1A1PARP14KDM4ESMN1; SMN2HPGD | |
| SCHEMBL13655262 | 0.78 | HDAC1 (0.56) | ALDH1A1PARP14KDM4ESMN1; SMN2HPGD | |
| Hydrochloric Acid SCHEMBL4065852 | 0.76 | HDAC1 (0.47) | — | |
| SCHEMBL6326388 | 0.74 | ALDH1A1 (0.65) | ALDH1A1PARP14KDM4ESMN1; SMN2CYP2C9 | |
| SCHEMBL20169736 | 0.74 | SCN9A (0.61) | ALDH1A1MASP2KDM4ESMN1; SMN2HPGD | |
| SCHEMBL4064876 | 0.73 | MASP2 (0.50) | ALDH1A1MASP2KDM4EHPGDPARP1 | |
| Hydrochloric Acid SCHEMBL4302259 | 0.72 | MASP2 (0.49) | ALDH1A1MASP2KDM4EHPGDPARP1 | |
| SCHEMBL10549072 | 0.72 | IDO1 (0.53) | ALDH1A1PARP14KDM4ESMN1; SMN2ATR |
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-9975857-B2 | Inhibition of bacterial biofilms with imidazole-phenyl derivatives | NORTH CAROLINA STATE UNIVERSITY (US) | 2018-05-22 | — | — | US | disclosed |