Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14480428 | 1.00 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CMEN1LMNA | |
| SCHEMBL2760888 | 1.00 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CMEN1LMNA | |
| Hydrochloric Acid SCHEMBL1440350 | 0.98 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CMEN1LMNA | |
| Hydrochloric Acid SCHEMBL1440719 | 0.98 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CMEN1LMNA | |
| Hydrochloric Acid SCHEMBL1440347 | 0.98 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CMEN1LMNA | |
| SCHEMBL998729 | 0.85 | P2RX3 (0.37) | ADRA2AADRA2BADRA2CMEN1LMNA | |
| SCHEMBL998728 | 0.85 | P2RX3 (0.37) | ADRA2AADRA2BADRA2CMEN1LMNA | |
| SCHEMBL2863572 | 0.82 | SLC6A4 (0.46) | ADRA2AADRA2BADRA2CMEN1LMNA | |
| SCHEMBL2674305 | 0.82 | SLC6A4 (0.46) | ADRA2AADRA2BADRA2CMEN1LMNA | |
| Hydrochloric Acid SCHEMBL2749385 | 0.81 | SLC6A4 (0.44) | ADRA2AADRA2BADRA2CMEN1LMNA |
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-2729447-B1 | POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | H LUNDBECK AS (DK) | 2018-05-30 | — | — | EP | claimed |