Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL28362181 | 0.85 | ACHE (0.46) | TAAR1IDO1PNMTACHECYP2D6 | |
| SCHEMBL11827945 | 0.83 | TAAR1 (0.52) | TAAR1IDO1PNMTACHESLC6A2 | |
| SCHEMBL10249345 | 0.83 | PNMT (0.62) | TAAR1IDO1PNMTSLC6A2MAOA | |
| SCHEMBL29968153 | 0.83 | PNMT (0.62) | TAAR1IDO1PNMTSLC6A2MAOA | |
| SCHEMBL12136140 | 0.83 | PNMT (0.62) | TAAR1IDO1PNMTSLC6A2MAOA | |
| SCHEMBL2563917 | 0.83 | PNMT (0.62) | TAAR1IDO1PNMTSLC6A2MAOA | |
| SCHEMBL14997302 | 0.81 | TAAR1 (0.48) | TAAR1IDO1PNMTACHECYP2D6 | |
| SCHEMBL8257853 | 0.81 | TAAR1 (0.48) | TAAR1IDO1PNMTACHECYP2D6 | |
| Hydrochloric Acid SCHEMBL30559539 | 0.81 | PNMT (0.60) | TAAR1IDO1PNMTSLC6A2MAOA | |
| SCHEMBL15487598 | 0.81 | TAAR1 (0.46) | TAAR1IDO1PNMTSLC6A2MAOA |
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 |