Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CYP26B1 | Q9NR63 | 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 | |
|---|---|---|---|---|
| SCHEMBL5344844 | 0.85 | DAO (0.40) | CA1CA2KCNH2TSHRPTGS2 | |
| SCHEMBL3258334 | 0.78 | CA2 (0.50) | CA1CA2KCNH2TSHR | |
| SCHEMBL5321788 | 0.77 | CA2 (0.51) | CA1CA2HTR2AHTR2CHTR6 | |
| SCHEMBL980388 | 0.76 | CA1 (0.44) | CA1CA2HTR2AHTR2CKCNH2 | |
| SCHEMBL31456176 | 0.76 | VCAM1 (0.55) | CA1CA2HTR2AHTR2CHTR6 | |
| SCHEMBL14248769 | 0.75 | DAO (0.41) | CA1CA2PTGS2 | |
| SCHEMBL4318681 | 0.74 | VCAM1 (0.57) | CA1CA2HTR6VCAM1TSHR | |
| SCHEMBL30838118 | 0.74 | VCAM1 (0.57) | CA1CA2HTR6VCAM1TSHR | |
| SCHEMBL7463569 | 0.73 | PTGS2 (0.45) | HTR2AHTR2CHTR6PTGS2 | |
| SCHEMBL1284072 | 0.73 | CA1 (0.43) | CA1CA2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007114916-A2 | ARYLBENZYLPIPERIDINE COMPOUNDS | H. LUNDBECK A/S (DK) | 2007-10-11 | — | — | WO | disclosed |