Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.56 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.55 |
| ▸ | IKBKB | O14920 | 1/20 | 0.54 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.54 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL26378399 | 0.96 | LTA4H (0.60) | LTA4HPTGS2HPGDLMNAHRH3 | |
| SCHEMBL3207509 | 0.92 | LTA4H (0.68) | LTA4HPTGS2HPGDLMNAHRH3 | |
| SCHEMBL491779 | 0.89 | HRH3 (0.72) | LTA4HPTGS2HPGDLMNAHRH3 | |
| SCHEMBL5857234 | 0.88 | HRH3 (0.70) | LTA4HPTGS2HPGDLMNAHRH3 | |
| SCHEMBL27853344 | 0.86 | LTA4H (0.58) | LTA4HPTGS2HPGDLMNAHRH3 | |
| SCHEMBL18788213 | 0.86 | LTA4H (0.73) | LTA4HPTGS2HRH3CHRNB2CHRNA4 | |
| SCHEMBL13202242 | 0.85 | LTA4H (0.72) | LTA4HPTGS2HRH3CHRNB2CHRNA4 | |
| SCHEMBL27853347 | 0.84 | HRH3 (0.78) | LTA4HPTGS2HPGDHRH3ALDH1A1 | |
| SCHEMBL27870157 | 0.83 | LTA4H (0.49) | LTA4HPTGS2HPGDLMNAHRH3 | |
| SCHEMBL13949514 | 0.82 | CYP1A2 (0.59) | LTA4HPTGS2HRH3CHRNB2CHRNA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102464631-B | Piperazine substituted 1,3-2-substituted carbamide compounds and the substituted amides compound of piperazine and its production and use | 中国科学院上海药物研究所 | 2016-08-10 | — | — | CN | disclosed |
| CN-102464631-A | Piperazine substituted 1,3-disubstitued urea compounds and piperazine substituted amide compounds, preparation method, and use thereof | SHANGHAI INST MATERIA MEDICA | 2012-05-23 | — | — | CN | disclosed |