Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.60 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.52 |
| ▸ | DRD3 | P35462 | 2/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11456005 | 1.00 | ADRB2 (0.60) | ADRB2ADRB1CYP2D6ADRB3MAPT | |
| SCHEMBL11244639 | 1.00 | ADRB2 (0.60) | ADRB2ADRB1CYP2D6ADRB3MAPT | |
| SCHEMBL11573996 | 1.00 | ADRB2 (0.60) | ADRB2ADRB1CYP2D6ADRB3MAPT | |
| Maleic Acid SCHEMBL11575619 | 0.93 | KMT2A (0.53) | ADRB2ADRB1CYP2D6ADRB3MAPT | |
| SCHEMBL11456001 | 0.93 | ADRB2 (0.56) | ADRB2ADRB1CYP2D6ADRB3MAPT | |
| SCHEMBL11456002 | 0.93 | ADRB2 (0.56) | ADRB2ADRB1CYP2D6ADRB3MAPT | |
| SCHEMBL11246088 | 0.93 | ADRB2 (0.56) | ADRB2ADRB1CYP2D6ADRB3MAPT | |
| SCHEMBL11246083 | 0.93 | ADRB2 (0.56) | ADRB2ADRB1CYP2D6ADRB3MAPT | |
| Hydrochloric Acid SCHEMBL11256116 | 0.92 | MAPT (0.56) | ADRB2ADRB1CYP2D6ADRB3MAPT | |
| Hydrochloric Acid SCHEMBL11253835 | 0.92 | MAPT (0.56) | ADRB2ADRB1CYP2D6ADRB3MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0005142-A1 | Phenylpiperazine derivatives, process for their preparation, intermediates for this purpose and medicaments containing such phenylpiperazine derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-11-14 | — | — | EP | claimed |
| US-4314085-A | Intermediates for preparing adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1982-02-02 | — | — | US | disclosed |
| EP-0005142-A1 | Phenylpiperazine derivatives, process for their preparation, intermediates for this purpose and medicaments containing such phenylpiperazine derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-11-14 | — | — | EP | disclosed |