Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7164271 | 0.79 | CHRM2 (0.54) | SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL4661013 | 0.77 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL9330574 | 0.76 | CHRM2 (0.55) | SLC6A2SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL4021178 | 0.76 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL6660824 | 0.76 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL6210054 | 0.75 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8112597 | 0.74 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL28838197 | 0.72 | AKR1C1 (0.45) | SLC6A2SLC6A4SLC6A3CYP2D6HTR2C | |
| SCHEMBL18261095 | 0.72 | PRCP (0.48) | SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL11217551 | 0.70 | CHRM2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6455727-B1 | Process for preparing carbetapentane tannate | JAME FINE CHEMICALS, INC. | 2002-09-24 | — | — | US | disclosed |