Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 16/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10913792 | 0.88 | ADRB2 (0.57) | CYP2D6HIF1AADRB2MEN1NPC1 | |
| SCHEMBL10913521 | 0.88 | CYP2D6 (0.53) | CYP2D6HIF1AADRB2MEN1NPC1 | |
| SCHEMBL10916364 | 0.85 | ADRB2 (0.58) | CYP2D6HIF1AADRB2MEN1KMT2A | |
| SCHEMBL10915098 | 0.85 | CYP2D6 (0.50) | CYP2D6HIF1AADRB2MEN1NPC1 | |
| SCHEMBL10898628 | 0.84 | ADRB2 (0.49) | CYP2D6HIF1AADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL10895621 | 0.83 | SLC2A1 (0.49) | CYP2D6HIF1AADRB2ADRB1ADRB3 | |
| SCHEMBL10964986 | 0.83 | ADRB1 (0.50) | CYP2D6HIF1AADRB2MEN1NPC1 | |
| SCHEMBL10963713 | 0.83 | ADRB1 (0.50) | CYP2D6HIF1AADRB2MEN1NPC1 | |
| Hydrochloric Acid SCHEMBL11242788 | 0.82 | KDM4E (0.49) | CYP2D6HIF1AADRB2MEN1NPC1 | |
| SCHEMBL10915100 | 0.81 | ADRB2 (0.60) | CYP2D6HIF1AADRB2ADRB1ADRB3 |
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-0061907-A1 | Secondary amines, their preparation, pharmaceutical compositions containing them and their use | BEECHAM GROUP PLC (GB) | 1982-10-06 | — | — | EP | claimed |
| EP-0061907-B1 | SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE | BEECHAM GROUP PLC (GB) | 1984-08-01 | — | — | EP | disclosed |
| EP-0061907-A1 | Secondary amines, their preparation, pharmaceutical compositions containing them and their use | BEECHAM GROUP PLC (GB) | 1982-10-06 | — | — | EP | disclosed |