Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | LITAF | Q99732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3694763 | 0.80 | HTR1A (0.45) | HTR1AADRA1DADRA1AADRA1BENPP1 | |
| SCHEMBL3688085 | 0.77 | KCNH2 (0.57) | KCNH2 | |
| SCHEMBL6219493 | 0.73 | KCNH2 (0.45) | HTR1AADRA1DADRA1AADRA1BENPP1 | |
| SCHEMBL3686478 | 0.71 | HTR1A (0.43) | HTR1AADRA1DADRA1AADRA1BENPP1 | |
| SCHEMBL3687460 | 0.70 | ACHE (0.36) | HTR1AADRA1DADRA1AADRA1BENPP1 | |
| SCHEMBL16964453 | 0.69 | HTR1A (0.60) | HTR1AADRA1DADRA1AADRA1BPDE10A | |
| SCHEMBL6975733 | 0.69 | HTR4 (0.48) | HTR1AADRA1DADRA1AADRA1BENPP1 | |
| SCHEMBL16106422 | 0.67 | HTR1A (0.54) | HTR1AADRA1DADRA1AADRA1BPDE10A | |
| SCHEMBL20460269 | 0.67 | RAB9A (0.53) | HTR1AADRA1DADRA1AADRA1BKDM4E | |
| SCHEMBL6218091 | 0.67 | HTR1A (0.45) | HTR1AADRA1DADRA1AADRA1BENPP1 |
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-2239260-A1 | Novel compounds with antibacterial activity | Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) | 2010-10-13 | — | — | EP | disclosed |