Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.36 |
| ▸ | WNT3A | P56704 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NEK2 | P51955 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1238568 | 0.81 | HTT (0.56) | ALDH1A1MAPTMEN1GAAKMT2A | |
| SCHEMBL2363066 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPTMEN1GAAKMT2A | |
| SCHEMBL29978912 | 0.77 | ALDH1A1 (0.60) | ALDH1A1MAPTMEN1GAAKMT2A | |
| SCHEMBL753087 | 0.77 | ALDH1A1 (0.60) | ALDH1A1MAPTMEN1GAAKMT2A | |
| SCHEMBL2204998 | 0.75 | HTT (0.69) | ALDH1A1MAPTMEN1KMT2AHDAC1 | |
| SCHEMBL1996452 | 0.74 | L3MBTL1 (0.49) | ALDH1A1MEN1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL1997763 | 0.73 | HDAC1 (0.46) | ALDH1A1MAPTMEN1GAAKMT2A | |
| SCHEMBL1997553 | 0.73 | HDAC1 (0.46) | ALDH1A1MAPTMEN1GAAKMT2A | |
| SCHEMBL2004664 | 0.73 | HPGD (0.57) | ALDH1A1MAPTMEN1GAAKMT2A | |
| SCHEMBL1997751 | 0.73 | KMT2A (0.54) | ALDH1A1MAPTMEN1GAAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1799676-A2 | NEW BICYCLIC ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006032466-A2 | NEW BICYCLIC ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-30 | — | — | WO | disclosed |