Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CTSC | P53634 | 2/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15263087 | 0.81 | CYP2D6 (0.62) | CYP2D6TAAR1SLC6A2MAOASLC6A4 | |
| Water SCHEMBL3896311 | 0.79 | TRPA1 (0.74) | CYP2D6TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL23869573 | 0.77 | CYP2D6 (1.00) | CYP2D6TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL9860209 | 0.77 | CYP2D6 (0.75) | CYP2D6TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL15834911 | 0.77 | CYP2D6 (1.00) | CYP2D6TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL10137757 | 0.77 | TRPA1 (0.56) | CYP2D6TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL13534723 | 0.77 | TRPA1 (0.56) | CYP2D6TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL30934 | 0.76 | TRPA1 (0.77) | CYP2D6TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL1752148 | 0.75 | SIGMAR1 (0.52) | CYP2D6TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL14452762 | 0.75 | SIGMAR1 (0.52) | CYP2D6TAAR1SLC6A2MAOASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1049501-A | AZABICYCLO QUINOLONE CARBOXYLIC ACIDS | PFIZER (US) | 1991-02-27 | — | — | CN | disclosed |