Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.54 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | XIAP | P98170 | 1/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9816875 | 1.00 | CYP2D6 (0.63) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL850992 | 1.00 | CYP2D6 (0.63) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| Hydrochloric Acid SCHEMBL835498 | 0.98 | CYP2D6 (0.61) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL15640342 | 0.83 | SLC6A2 (0.57) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL1168783 | 0.83 | SLC6A2 (0.57) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL11163544 | 0.82 | EPHX1 (0.58) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL873142 | 0.82 | TRPA1 (0.61) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL107335 | 0.82 | TRPA1 (0.61) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL26085425 | 0.82 | TRPA1 (0.61) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL26085426 | 0.82 | TRPA1 (0.61) | CYP2D6SLC6A2TAAR1MAOASLC6A4 |
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-2018093695-A1 | FACTOR XIIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |