Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 9/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HNF4A | P41235 | 1/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2397460 | 0.83 | CYP2A6 (0.54) | HDAC1IDH1ADRB2CYP2A6 | |
| SCHEMBL9764878 | 0.71 | ALDH1A1 (0.39) | ALOX5LMNA | |
| SCHEMBL2396236 | 0.70 | CYP2A6 (0.48) | ALOX5ADRB2CYP2A6 | |
| SCHEMBL9378756 | 0.69 | RAB9A (0.50) | HDAC1ALOX5CYP2A6 | |
| SCHEMBL9876964 | 0.68 | TAAR1 (0.50) | ALOX5LMNA | |
| SCHEMBL5691284 | 0.68 | CYP2A6 (0.51) | ALOX5IDH1ADRB2CYP2A6LMNA | |
| SCHEMBL22587569 | 0.67 | HDAC1 (0.48) | HDAC1IDH1 | |
| SCHEMBL9372657 | 0.66 | RIPK1 (0.47) | ALOX5 | |
| SCHEMBL9374252 | 0.66 | TRPM8 (0.51) | LMNA | |
| SCHEMBL9474361 | 0.65 | ALOX5 (0.72) | ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-4822809-A | ENZYME INHIBITORS | ABBOTT LABORATORIES (US) | 1989-04-18 | — | — | US | disclosed |