Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11617359 | 0.92 | CYP2D6 (0.35) | ADRB2ABCB11ADORA3ARCYP2D6 | |
| SCHEMBL11618973 | 0.86 | PRKCI (0.41) | ADRB2MAPTMEN1KMT2AKDM4E | |
| SCHEMBL11623888 | 0.80 | SLC6A2 (0.38) | ADRB2MAPTMEN1KMT2AKDM4E | |
| SCHEMBL11623444 | 0.76 | POLB (0.40) | ADRB2MAPTKDM4EABCB11ADORA3 | |
| SCHEMBL11619496 | 0.72 | CYP2D6 (0.50) | ADRB2KDM4EABCB11ADORA3AR | |
| SCHEMBL11624516 | 0.67 | ACHE (0.40) | ADRB2MEN1KMT2AKDM4EMAPK1 | |
| SCHEMBL11622698 | 0.67 | POLB (0.41) | MEN1KMT2AKDM4EABCB11ADORA3 | |
| SCHEMBL11621751 | 0.66 | TSHR (0.41) | ADRB2MAPTMEN1KMT2AKDM4E | |
| SCHEMBL11619960 | 0.65 | GAA (0.41) | MAPTKDM4ETDP1LMNAALDH1A1 | |
| SCHEMBL13907691 | 0.63 | GAA (0.42) | MAPTABCB11ADORA3ARCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4101671-A | ANTIULCEROGENICS | BOEHRINGER INGELHEIM GMBH (DE) | 1978-07-18 | — | — | US | disclosed |
| US-RE29628-E | ANTIULCER, SECRETOLYTICS, ANTITUSSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1978-05-09 | — | — | US | disclosed |
| US-3950393-A | ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-13 | — | — | US | disclosed |