Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 13/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 2/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11622457 | 0.82 | ADRB2 (0.44) | ADRB2ADRB1KCNH2 | |
| SCHEMBL11621026 | 0.75 | BCHE (0.40) | ADRB2 | |
| SCHEMBL10700941 | 0.73 | ADRB2 (0.37) | ADRB2ADRB1 | |
| SCHEMBL11619387 | 0.73 | NOS3 (0.42) | ADRB2ADRB1KCNH2 | |
| SCHEMBL11622585 | 0.71 | PRKCI (0.39) | ADRB2ADRB1DDR1 | |
| SCHEMBL19506266 | 0.70 | GABRA1 (0.44) | ADRB2ADRB1 | |
| SCHEMBL11624669 | 0.69 | KDM4E (0.43) | DDR1 | |
| SCHEMBL11619200 | 0.68 | ABCB11 (0.53) | ADRB2KCNH2 | |
| SCHEMBL11138187 | 0.68 | RAPGEF4 (0.38) | ADRB2ADRB1 | |
| SCHEMBL800327 | 0.67 | EPHX2 (0.46) | — |
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 |