Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 7/20 | 0.40 |
| ▸ | HTR2B | P41595 | 7/20 | 0.40 |
| ▸ | HTR2A | P28223 | 6/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11217338 | 0.91 | SMN1; SMN2 (0.37) | MTNR1BKDM4E | |
| SCHEMBL11221342 | 0.89 | HTR2C (0.40) | HTR2CHTR2BHTR2AMTNR1AMTNR1B | |
| SCHEMBL11222119 | 0.82 | HTR2C (0.46) | HTR2CHTR2BHTR2AMTNR1AMTNR1B | |
| SCHEMBL11225727 | 0.79 | ALDH1A1 (0.37) | MTNR1BKDM4E | |
| SCHEMBL11221698 | 0.78 | SMN1; SMN2 (0.36) | HTR2CHTR2BHTR2ACYP1A2CYP2C19 | |
| SCHEMBL11218556 | 0.77 | TSHR (0.31) | HTR2C | |
| SCHEMBL11221659 | 0.77 | HTR2C (0.40) | HTR2CHTR2BHTR2AKDM4ECYP1A2 | |
| SCHEMBL11216495 | 0.77 | CA1 (0.38) | HTR2CHTR2BHTR2AMAPT | |
| SCHEMBL11218723 | 0.75 | KDM4E (0.36) | MTNR1AMTNR1BKDM4ECYP3A4MAPT | |
| SCHEMBL11230630 | 0.74 | HTR1A (0.38) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4352805-A | BENZOXEPINE DERIVATIVES | THE UPJOHN COMPANY (US) | 1982-10-05 | — | — | US | disclosed |
| US-4312868-A | HYPOTENSIVE, ANTIPSYCHOTIC | THE UPJOHN COMPANY (US) | 1982-01-26 | — | — | US | disclosed |
| US-4251526-A | HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC | PHARMACIA & UPJOHN COMPANY | 1981-02-17 | — | — | US | disclosed |
| US-4250175-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | PHARMACIA & UPJOHN COMPANY | 1981-02-10 | — | — | US | disclosed |
| US-4250181-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-02-10 | — | — | US | disclosed |
| US-4247553-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-01-27 | — | — | US | disclosed |
| US-4207239-A | HYPOTENSIVE, ANTIPSYCHOTIC | THE UPJOHN COMPANY (US) | 1980-06-10 | — | — | US | disclosed |
| US-4206123-A | INTERMEDIATES FOR HYPOTENSIVES | MCCALL JOHN M (US) | 1980-06-03 | — | — | US | disclosed |
| US-4181665-A | INTERMEDIATES FOR AMINO DERIVATIVES POSSESSING HYPOTENSIVE AND CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1980-01-01 | — | — | US | disclosed |
| US-4179510-A | ISOCHROMANS AND 2-BENZOXEPINS | THE UPJOHN COMPANY (US) | 1979-12-18 | — | — | US | disclosed |
| US-4166062-A | HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1979-08-28 | — | — | US | disclosed |
| US-4153612-A | 2-Benzoxepins | THE UPJOHN COMPANY (US) | 1979-05-08 | — | — | US | disclosed |