Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MARS1 | P56192 | 4/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1010395 | 0.93 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4SMPD1CNR1 | |
| SCHEMBL1011590 | 0.87 | MARS1 (0.50) | CYP1A2SMPD1CNR1CNR2PTGS1 | |
| SCHEMBL1009792 | 0.87 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP3A4CNR1MAPT | |
| SCHEMBL3819281 | 0.79 | MARS1 (0.54) | CYP1A2L3MBTL1PTGS1PTGS2MARS1 | |
| SCHEMBL1011336 | 0.74 | CNR1 (0.49) | ALDH1A1CYP1A2CYP3A4CNR1MAPT | |
| SCHEMBL1009295 | 0.73 | MARS1 (0.48) | CYP1A2PTGS1PTGS2MARS1KMT2A | |
| SCHEMBL30961557 | 0.73 | CNR1 (0.72) | CNR1CNR2 | |
| SCHEMBL1010582 | 0.70 | PTGS1 (0.42) | SMPD1MAPTPOLBPTGS1PTGS2 | |
| SCHEMBL30961589 | 0.68 | CNR2 (0.88) | CNR1CNR2 | |
| SCHEMBL4464625 | 0.67 | CNR1 (0.75) | CNR1CNR2 |
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-2094706-B1 | SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS | SANOFI AVENTIS (FR) | 2011-01-05 | — | — | EP | disclosed |