Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.33 |
| ▸ | TUBB | P07437 | 3/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11229538 | 0.89 | CA1 (0.36) | HTR1ADRD2DRD1HTR2ACA1 | |
| SCHEMBL11218512 | 0.87 | CA1 (0.44) | CA1CA2CA9CA14ACHE | |
| SCHEMBL11219778 | 0.86 | PRMT5 (0.37) | HTR1ADRD2CA1CA2CA9 | |
| SCHEMBL11226178 | 0.85 | PRMT5 (0.37) | HTR1ADRD2DRD1HTR2ACA1 | |
| SCHEMBL11447128 | 0.84 | PRMT5 (0.31) | PRMT5WDR77 | |
| SCHEMBL11223854 | 0.84 | CA1 (0.38) | HTR2ACA1CA2CA9CA14 | |
| SCHEMBL11224244 | 0.83 | PRMT5 (0.42) | HTR1ADRD2DRD1HTR2ACA1 | |
| SCHEMBL11465887 | 0.83 | HTR1A (0.39) | HTR1ADRD2DRD1HTR2ACA1 | |
| SCHEMBL11222265 | 0.77 | HTR1A (0.33) | HTR1ADRD2DRD1HTR2APTGS2 | |
| SCHEMBL11219842 | 0.76 | MEN1 (0.36) | BCHEACHEPRMT5WDR77MAPT |
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-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-4233459-A | TREATED WITH REDUCING AGENTS IN TWO STEPS DURING OR AFTER PREPARATION FROM ALKALI METAL PHTHALAMATE OR PHTHALIMIDATE AND AN ALKALI METAL HYPOHALITE | BASF AKTIENGESELLSCHAFT (DE) | 1980-11-11 | — | — | 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 |