Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | LAP3 | P28838 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28649749 | 0.82 | TAAR1 (0.53) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA | |
| SCHEMBL4091905 | 0.82 | TAAR1 (0.59) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA | |
| SCHEMBL14519203 | 0.81 | TAAR1 (0.52) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA | |
| SCHEMBL8403198 | 0.79 | TAAR1 (0.50) | TAAR1SIGMAR1SLC18A2BCHE | |
| SCHEMBL15705189 | 0.79 | TRPA1 (0.59) | TAAR1SIGMAR1SLC18A2BCHE | |
| SCHEMBL23921568 | 0.78 | CYP1A2 (0.50) | TAAR1SIGMAR1SLC18A2ALPIPKM | |
| SCHEMBL14163598 | 0.78 | BCHE (0.50) | TAAR1SIGMAR1SLC18A2SLC6A2SLC6A4 | |
| SCHEMBL13416383 | 0.78 | SIGMAR1 (0.63) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA | |
| SCHEMBL13416485 | 0.78 | SIGMAR1 (0.63) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA | |
| SCHEMBL20878548 | 0.75 | TAAR1 (0.59) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA |
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-3351580-A1 | POLYMER CONJUGATE OF HEXA-COORDINATED PLATINUM COMPLEX | Nippon Kayaku Kabushiki Kaisha (JP) | 2018-07-25 | — | — | EP | disclosed |