Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1503177 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MAPK1KMT2AMAOBHDAC3 | |
| SCHEMBL2216339 | 0.77 | HDAC6 (0.44) | ALDH1A1MAPK1KMT2AMAOBHDAC3 | |
| SCHEMBL1503260 | 0.76 | HDAC6 (0.36) | TRPA1HDAC3HDAC6HDAC1HDAC2 | |
| SCHEMBL4316603 | 0.75 | PTPN1 (0.38) | ALDH1A1MAPK1KMT2A | |
| SCHEMBL1503210 | 0.74 | PTPN1 (0.38) | ALDH1A1MAPK1KMT2A | |
| SCHEMBL22719947 | 0.73 | LMNA (0.46) | ALDH1A1MAPK1KMT2A | |
| SCHEMBL22719912 | 0.72 | KMT2A (0.39) | ALDH1A1MAPK1KMT2AMAOBCYP2C9 | |
| SCHEMBL12515762 | 0.71 | HDAC3 (0.43) | MAOBHDAC3HDAC6HDAC1HDAC2 | |
| SCHEMBL12935668 | 0.70 | KMT2A (0.42) | ALDH1A1MAPK1KMT2AMAOB | |
| SCHEMBL30193078 | 0.70 | KMT2A (0.40) | ALDH1A1MAPK1KMT2AMAOBCYP2C9 |
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-2300433-A1 | HIV INTEGRASE INHIBITORS FROM PYRIDOXINE | Ambrilia Biopharma Inc. (CA) | 2011-03-30 | — | — | EP | claimed |
| WO-2009146555-A1 | HIV INTEGRASE INHIBITORS FROM PYRIDOXINE | AMBRILIA BIOPHARMA INC. (CA) | 2009-12-10 | — | — | WO | claimed |