Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16877227 | 0.68 | USP2 (0.40) | NR1H2NR1H3CYP1A2MAPK1USP2 | |
| SCHEMBL1040912 | 0.65 | KCNH2 (0.37) | NR1H2NR1H3MAPK1USP2TP53 | |
| SCHEMBL11165087 | 0.61 | CYP1A2 (0.73) | CYP1A2MAPK1TP53LMNANOTUM | |
| SCHEMBL28215 | 0.61 | CYP1A2 (0.73) | CYP1A2MAPK1TP53LMNANOTUM | |
| SCHEMBL3952742 | 0.61 | CYP1A2 (0.73) | CYP1A2MAPK1TP53LMNANOTUM | |
| SCHEMBL28730602 | 0.61 | CYP1A2 (0.42) | NR1H2NR1H3CYP1A2MAPK1USP2 | |
| SCHEMBL18188062 | 0.61 | ALDH1A1 (0.56) | CYP1A2MAPK1USP2TP53LMNA | |
| Methyl Alcohol SCHEMBL28374011 | 0.60 | CYP1A2 (0.61) | CYP1A2MAPK1LMNANOTUMCYP2A6 | |
| SCHEMBL11357896 | 0.60 | PCSK9 (0.50) | NR1H2NR1H3CYP1A2MAPK1USP2 | |
| SCHEMBL2615403 | 0.60 | KEAP1 (0.64) | NR1H2NR1H3TP53NOTUMALDH1A1 |
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-4833143-A | PHENYL CYCLOBUTYL HETEROCYCLIC AMINES AND AMIDES | THE BOOTS COMPANY PLC (GB) | 1989-05-23 | — | — | US | disclosed |