Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | VNN1 | O95497 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | GOT1 | P17174 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30421162 | 1.00 | CYP1A2 (0.51) | CYP1A2P2RX7CTDSP1VNN1CES1 | |
| SCHEMBL2436110 | 0.91 | CYP1A2 (0.50) | CYP1A2P2RX7CTDSP1VNN1CES1 | |
| SCHEMBL27883898 | 0.85 | CYP1A2 (0.50) | CYP1A2P2RX7CTDSP1VNN1CES1 | |
| SCHEMBL31080880 | 0.83 | CYP1A2 (0.53) | CYP1A2P2RX7CTDSP1VNN1CES1 | |
| SCHEMBL25660463 | 0.83 | CYP1A2 (0.53) | CYP1A2P2RX7CTDSP1VNN1CES1 | |
| SCHEMBL30421462 | 0.81 | CYP1A2 (0.54) | CYP1A2P2RX7CTDSP1VNN1CES1 | |
| SCHEMBL12530365 | 0.79 | CTDSP1 (0.49) | CYP1A2P2RX7CTDSP1VNN1CES1 | |
| SCHEMBL3079246 | 0.77 | CYP1A2 (0.47) | CYP1A2P2RX7CTDSP1VNN1CES1 | |
| SCHEMBL21132517 | 0.76 | RECQL (0.51) | CYP1A2P2RX7CTDSP1VNN1CYP2C9 | |
| SCHEMBL6046250 | 0.76 | CYP1A2 (0.50) | CYP1A2CTDSP1VNN1CES1TBXAS1 |
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-0223974-A1 | N-Substituted-N-[3-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)-phenyl]alkanamides, carbamates and ureas | AMERICAN CYANAMID COMPANY (US) | 1987-06-03 | — | — | EP | disclosed |