Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | ACE | P12821 | 3/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7341721 | 0.76 | CES1 (0.43) | CES1HTR1AACEACE2ALDH1A1 | |
| SCHEMBL7353201 | 0.72 | CES1 (0.45) | MAPTCES1HTR1AACEMME | |
| SCHEMBL7345026 | 0.71 | AADAT (0.49) | CES1HTR1AALDH1A1 | |
| SCHEMBL13626167 | 0.70 | ACE (0.49) | MTNR1AMTNR1BACEMME | |
| SCHEMBL7353202 | 0.70 | CES1 (0.43) | CYP1A2CES1HTR1AALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7344851 | 0.70 | AADAT (0.48) | CES1HTR1AALDH1A1 | |
| SCHEMBL7344972 | 0.70 | CES1 (0.38) | MTNR1AMTNR1BCES1HTR1AALDH1A1 | |
| SCHEMBL13625990 | 0.68 | MTNR1A (0.49) | MTNR1AMTNR1BCHRM1CYP1A2MAPT | |
| SCHEMBL4799822 | 0.68 | MTNR1A (0.49) | MTNR1AMTNR1BCYP1A2MAPTCYP2C9 | |
| SCHEMBL4799807 | 0.68 | MTNR1A (0.49) | MTNR1AMTNR1BCYP1A2MAPTCYP2C9 |
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 |