Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 2/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7353202 | 0.78 | CES1 (0.43) | CES1HTR1AALDH1A1MEN1KMT2A | |
| SCHEMBL7345026 | 0.76 | AADAT (0.49) | CES1HTR1AALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7344851 | 0.75 | AADAT (0.48) | CES1HTR1AALDH1A1MEN1KMT2A | |
| SCHEMBL7340929 | 0.72 | MTNR1A (0.42) | CES1HTR1AMAPTALDH1A1ACE | |
| SCHEMBL1762224 | 0.69 | CES1 (0.57) | CES1 | |
| SCHEMBL7341721 | 0.68 | CES1 (0.43) | CES1HTR1AALDH1A1MEN1KMT2A | |
| SCHEMBL6338659 | 0.67 | DRD2 (0.43) | CES1HTR1AACEACE2AADAT | |
| SCHEMBL6302338 | 0.66 | CES1 (0.54) | CES1MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL3133027 | 0.65 | CES1 (0.46) | CES1HTR1AMAPTALDH1A1MEN1 | |
| SCHEMBL988203 | 0.65 | CES1 (0.56) | CES1MAPTMEN1KMT2A |
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-1990015058-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-12-13 | — | — | WO | disclosed |