Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | HTR7 | P34969 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | HRH1 | P35367 | 2/20 | 0.51 |
| ▸ | DRD3 | P35462 | 2/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11246600 | 1.00 | CYP2D6 (0.60) | CYP2D6MAPTMAPK1L3MBTL1ALDH1A1 | |
| Maleic Acid SCHEMBL11577316 | 0.93 | CYP2D6 (0.53) | CYP2D6MAPTMAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL11353613 | 0.88 | ADRB2 (0.52) | CYP2D6MAPTMAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL11244639 | 0.86 | ADRB2 (0.60) | CYP2D6MAPTMAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL11573996 | 0.86 | ADRB2 (0.60) | CYP2D6MAPTMAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL11244640 | 0.86 | ADRB2 (0.60) | CYP2D6MAPTMAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL11456005 | 0.86 | ADRB2 (0.60) | CYP2D6MAPTMAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL9787438 | 0.81 | ADRB3 (0.55) | CYP2D6MAPTMAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL9684128 | 0.81 | ADRB3 (0.55) | CYP2D6MAPTMAPK1L3MBTL1ALDH1A1 | |
| Maleic Acid SCHEMBL11575619 | 0.80 | KMT2A (0.53) | CYP2D6MAPTMAPK1L3MBTL1ALDH1A1 |
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-4202978-A | ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC | HOFFMANN-LA ROCHE INC. (US) | 1980-05-13 | — | — | US | claimed |
| US-4336382-A | ADRENERGIC BLOCKING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-4329289-A | Adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1982-05-11 | — | — | US | disclosed |
| US-4314085-A | Intermediates for preparing adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1982-02-02 | — | — | US | disclosed |
| US-4304721-A | Adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1981-12-08 | — | — | US | disclosed |
| US-4301300-A | ADRENERGIC BLOCKING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1981-11-17 | — | — | US | disclosed |
| US-4285873-A | ANTIANDROGENS | HOFFMANN-LA ROCHE INC. (US) | 1981-08-25 | — | — | US | disclosed |
| US-4281189-A | Sulfonamide intermediates for adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1981-07-28 | — | — | US | disclosed |
| US-4278608-A | Adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1981-07-14 | — | — | US | disclosed |
| US-4247710-A | THE 3'-HYDROXY, -BENZYLOXY, OR -HALO DERIVATIVES OF METHYL 4-((2'-HYDROXYPROPYL)OXY)PHENYLACETATE | HOFFMANN-LA ROCHE INC. (US) | 1981-01-27 | — | — | US | disclosed |
| US-4202978-A | ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC | HOFFMANN-LA ROCHE INC. (US) | 1980-05-13 | — | — | 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 |