Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11223852 | 0.88 | ALDH1A1 (0.40) | ALDH1A1KMT2ALMNAGAAL3MBTL1 | |
| SCHEMBL11552330 | 0.86 | ALDH1A1 (0.44) | ALDH1A1KMT2ALMNAHTR1ADRD2 | |
| SCHEMBL11220205 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KMT2ALMNAHTR1ADRD2 | |
| SCHEMBL11255728 | 0.79 | DRD2 (0.39) | ALDH1A1KMT2ALMNAHTR1ADRD2 | |
| SCHEMBL20906645 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KMT2ALMNAHTR1ADRD2 | |
| SCHEMBL6640390 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KMT2ALMNAHTR1ADRD2 | |
| SCHEMBL8859025 | 0.75 | HTR2A (0.49) | KMT2ADRD2HTR2AADRA2BADRA2C | |
| SCHEMBL11232660 | 0.74 | ALDH1A1 (0.39) | ALDH1A1KMT2ALMNAHTR1ADRD2 | |
| SCHEMBL20921224 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KMT2ALMNAHTR1ADRD2 | |
| SCHEMBL7398195 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KMT2ALMNAHTR1ADRD2 |
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 11 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-4153612-A | 2-Benzoxepins | THE UPJOHN COMPANY (US) | 1979-05-08 | — | — | US | disclosed |