Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2J2 | P51589 | 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 | |
|---|---|---|---|---|
| SCHEMBL9044874 | 0.86 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL6642003 | 0.82 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL6903795 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL11016278 | 0.75 | KDM4E (0.48) | CYP1A2KDM4EMAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6898305 | 0.73 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| Hydrochloric Acid SCHEMBL9047371 | 0.73 | TOP2A (0.42) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL11036161 | 0.73 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL6693441 | 0.72 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL9058190 | 0.72 | KDM4E (0.44) | CYP1A2KDM4EMAPTMEN1KMT2A | |
| SCHEMBL9666160 | 0.72 | KDM4E (0.39) | KDM4EMAPTMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401829-A4 | NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS | MICROBIOTIX INC (US) | 2004-10-27 | — | — | EP | disclosed |
| EP-1401829-A1 | NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS | Microbiotix, Inc. (US) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002102792-A1 | NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS | MICROBIOTIX, INC. (US) | 2002-12-27 | — | — | WO | disclosed |