Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | ADH5 | P11766 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 5/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8781047 | 0.99 | CYP4Z1 (0.56) | CYP4Z1CYP3A4BAZ2BHTTADH5 | |
| SCHEMBL4674989 | 0.86 | CYP3A4 (0.60) | CYP4Z1CYP3A4BAZ2BHTTADH5 | |
| SCHEMBL10960777 | 0.84 | CYP3A4 (0.64) | CYP4Z1CYP3A4BAZ2BHTTADH5 | |
| SCHEMBL9368933 | 0.83 | CYP3A4 (0.63) | CYP4Z1CYP3A4BAZ2BHTTADH5 | |
| SCHEMBL8508590 | 0.82 | CYP4Z1 (0.65) | CYP4Z1ADH5DRD3ADRB1ADRB2 | |
| SCHEMBL9363661 | 0.82 | ALDH1A1 (0.58) | CYP4Z1CYP3A4BAZ2BHTTDRD3 | |
| SCHEMBL7068530 | 0.82 | NAAA (0.63) | CYP4Z1CYP3A4BAZ2BHTTDRD3 | |
| Hydrochloric Acid SCHEMBL9363955 | 0.81 | BLM (0.59) | CYP4Z1CYP3A4BAZ2BHTTDRD3 | |
| SCHEMBL5947724 | 0.80 | EPHX2 (0.64) | CYP4Z1ADH5DRD3ADRB1ADRB2 | |
| SCHEMBL9363630 | 0.80 | DRD3 (0.55) | CYP4Z1CYP3A4BAZ2BHTTDRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0358284-B1 | Derivatized alkanolamines as cardiovascular agents | SCHERING AG (DE) | 1997-08-20 | — | — | EP | disclosed |
| US-5051423-A | Derivatized alkanolamines as cardiovascular agents | SCHERING AG (DE) | 1991-09-24 | — | — | US | disclosed |
| EP-0358284-A2 | Derivatized alkanolamines as cardiovascular agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1990000548-A2 | DERIVATIZED ALKANOLAMINES AS CARDIOVASCULAR AGENTS | SCHERING AKTIENGESELLSCHAFT BERLIN AND BERGKAMEN (DE) | 1990-01-25 | — | — | WO | disclosed |