Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11620468 | 0.90 | RORC (0.51) | TSHRSLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL11621889 | 0.87 | RORC (0.46) | SLC6A2SLC6A4SLC6A3BCHERORC | |
| SCHEMBL11617787 | 0.87 | PRKCI (0.46) | MAPK1SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL11623853 | 0.82 | TSHR (0.44) | TSHRMAPK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11624802 | 0.79 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3KDM4EBCHE | |
| SCHEMBL11616784 | 0.79 | RORC (0.48) | TSHRBCHERORCL3MBTL1SNCA | |
| SCHEMBL6804939 | 0.77 | KDM4E (0.45) | TSHRSLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL11620126 | 0.74 | SLC6A4 (0.58) | SLC6A2SLC6A4SLC6A3KDM4EL3MBTL1 | |
| SCHEMBL398911 | 0.73 | ALDH1A1 (0.56) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL11622450 | 0.73 | RORC (0.45) | TSHRMAPK1CYP1A2CYP2D6CYP2C9 |
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 |