Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 6/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11258306 | 0.77 | TSHR (0.41) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL95381 | 0.76 | TSHR (0.44) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL3058689 | 0.75 | MAPT (0.50) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL1151976 | 0.68 | MAOB (0.44) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL1190605 | 0.68 | MAPT (0.52) | TSHRSLC6A2SLC6A3L3MBTL1MAPT | |
| SCHEMBL6684055 | 0.68 | MAOB (0.41) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL17260912 | 0.68 | MAPT (0.43) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL17260899 | 0.68 | MAPT (0.43) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL224231 | 0.68 | LTA4H (0.46) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL7285346 | 0.68 | L3MBTL1 (0.52) | TSHRLMNACYP1A2PTGS1SLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4296029-A | Process for preparing hexahydroazepine, piperidine and pyrrolidine derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1981-10-20 | — | — | US | disclosed |
| EP-0021772-A1 | Method of preparing 2-oxo- and 2-unsubstituted-hexahydroazepine derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1981-01-07 | — | — | EP | disclosed |