Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7707462 | 0.85 | ACHE (0.44) | HTR2AACHECCR3HTR2CKCNH2 | |
| SCHEMBL7700571 | 0.83 | ACHE (0.42) | HTR2AACHESIGMAR1CCR3HTR2C | |
| SCHEMBL8388967 | 0.81 | FUCA1 (0.44) | ACHESIGMAR1 | |
| SCHEMBL7698615 | 0.81 | LTA4H (0.48) | HTR2AACHESIGMAR1MEN1KMT2A | |
| SCHEMBL7705775 | 0.80 | KDM4E (0.49) | ACHECCR3KDM4E | |
| SCHEMBL7695892 | 0.80 | HTR2A (0.45) | HTR2AACHECCR3HTR2CKCNH2 | |
| SCHEMBL5654095 | 0.79 | ALDH1A1 (0.44) | CYP1A2CYP3A4CYP2D6TSHRMEN1 | |
| SCHEMBL5465323 | 0.79 | ALDH1A1 (0.44) | CYP1A2CYP3A4CYP2D6TSHRMEN1 | |
| SCHEMBL7697424 | 0.79 | HTR2A (0.51) | HTR2AACHECCR3HTR2CKDM4E | |
| SCHEMBL5870766 | 0.79 | ACHE (0.47) | ACHESIGMAR1CCR3TSHRMEN1 |
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-2002046187-A1 | ANALGESIC DIAZABICYCLO[4.3.0]NONANES | SEPRACOR, INC. (US) | 2002-06-13 | — | — | WO | disclosed |