Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5135520 | 0.92 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14038093 | 0.87 | CYP2C9 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22640849 | 0.83 | KDM4E (0.48) | CA2ALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL30417855 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDKMT2AMEN1 | |
| SCHEMBL13639964 | 0.80 | GAA (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26054498 | 0.80 | ALDH1A1 (0.48) | CA2ALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL31226138 | 0.80 | KDM4E (0.48) | CA2ALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL3329028 | 0.78 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3400892 | 0.78 | ALDH1A1 (0.49) | CA2ALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL22821572 | 0.77 | ALDH1A1 (0.46) | CA2ALDH1A1KDM4EHPGDKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1309730-B1 | NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES | NANOGEN RECOGNOMICS GMBH (DE) | 2008-11-26 | — | — | EP | disclosed |