Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6642567 | 0.84 | KDM4E (0.51) | CYP1A2KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL6902966 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL17769503 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL11207660 | 0.80 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL17769476 | 0.80 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL6693441 | 0.78 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL9635290 | 0.77 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL29376920 | 0.77 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL17769581 | 0.76 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL7040995 | 0.76 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E |
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-1432705-A2 | DUAL ACTION ANTIBIOTICS | Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003032962-A2 | DUAL ACTION ANTIBIOTICS | Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) | 2003-04-24 | — | — | WO | disclosed |
| WO-2003031441-A1 | MULTIPLE ACTION COMPOUNDS | MORPHOCHEN AKTIENGESELLSCHAFT FÜR KOMBINATORISCHE CHEMIE (DE) | 2003-04-17 | — | — | WO | disclosed |