Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1282150 | 0.84 | CYP2D6 (0.46) | BCHEALDH1A1MAOBCYP2D6MCHR1 | |
| SCHEMBL2670100 | 0.84 | CYP2D6 (0.46) | BCHEALDH1A1MAOBCYP2D6MCHR1 | |
| SCHEMBL2670096 | 0.84 | CYP2D6 (0.46) | BCHEALDH1A1MAOBCYP2D6MCHR1 | |
| SCHEMBL14367739 | 0.84 | CYP2D6 (0.46) | BCHEALDH1A1MAOBCYP2D6MCHR1 | |
| SCHEMBL15416062 | 0.83 | CYP2D6 (0.44) | BCHEALDH1A1MAOBCYP2D6MCHR1 | |
| SCHEMBL2670299 | 0.83 | CYP2D6 (0.45) | BCHEALDH1A1MAOBCYP2D6MCHR1 | |
| SCHEMBL2670297 | 0.83 | CYP2D6 (0.45) | BCHEALDH1A1MAOBCYP2D6MCHR1 | |
| SCHEMBL34474271 | 0.78 | ALDH1A1 (0.45) | BCHEALDH1A1MAOBCYP2D6SIGMAR1 | |
| SCHEMBL20411116 | 0.76 | MC4R (0.49) | ALDH1A1CYP2D6CHRM2CHRM3SIGMAR1 | |
| SCHEMBL928913 | 0.76 | CYP3A4 (0.51) | ALDH1A1CYP2D6SIGMAR1L3MBTL1MEN1 |
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 |