Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7350112 | 0.88 | OPRM1 (0.36) | CES1MTNR1AMTNR1BALDH1A1GAA | |
| SCHEMBL7342774 | 0.75 | OPRM1 (0.36) | CES1ALDH1A1GAAUSP2KDM4E | |
| SCHEMBL7350119 | 0.72 | OPRM1 (0.34) | CES1ALDH1A1GAAUSP2KDM4E | |
| SCHEMBL7340929 | 0.70 | MTNR1A (0.42) | CES1MTNR1AMTNR1BALDH1A1HTR1A | |
| SCHEMBL25014144 | 0.64 | ALDH1A1 (0.45) | CES1ALDH1A1GAAKDM4ELMNA | |
| SCHEMBL28746487 | 0.63 | ALDH1A1 (0.46) | CES1ALDH1A1GAAUSP2KDM4E | |
| SCHEMBL1762224 | 0.62 | CES1 (0.57) | CES1 | |
| SCHEMBL988203 | 0.61 | CES1 (0.56) | CES1GAALMNAKMT2A | |
| SCHEMBL12098924 | 0.60 | KMT2A (0.35) | ALDH1A1GAALMNAKMT2A | |
| SCHEMBL10366644 | 0.59 | ALDH1A1 (0.51) | CES1ALDH1A1GAAUSP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5436240-A | Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines | THE UPJOHN COMPANY (US) | 1995-07-25 | — | — | US | disclosed |
| EP-0480939-B1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | UPJOHN CO (US) | 1995-01-25 | — | — | EP | disclosed |
| US-5273975-A | Heterocyclic amines having central nervous system activity | THE UPJOHN COMPANY (US) | 1993-12-28 | — | — | US | disclosed |
| WO-1990015058-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-12-13 | — | — | WO | disclosed |