Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8622658 | 0.88 | EPHX2 (0.36) | TSHRALDH1A1GLAEPHX2RIPK1 | |
| SCHEMBL1345003 | 0.73 | ALDH1A1 (0.36) | TSHRALDH1A1GLARIPK1 | |
| SCHEMBL2487489 | 0.70 | TSHR (0.36) | TSHRALDH1A1GLA | |
| SCHEMBL17769749 | 0.70 | TSHR (0.43) | TSHRALDH1A1 | |
| SCHEMBL8621817 | 0.66 | ALDH1A1 (0.30) | TSHRALDH1A1GLA | |
| SCHEMBL14845241 | 0.66 | CES2 (0.50) | RIPK1 | |
| SCHEMBL2475462 | 0.65 | ALDH1A1 (0.44) | TSHRALDH1A1GLA | |
| Propionic Acid SCHEMBL29009760 | 0.64 | CES2 (0.50) | TSHRALDH1A1EPHX2RIPK1 | |
| SCHEMBL9128725 | 0.63 | MAPT (0.32) | TSHRALDH1A1EPHX2 | |
| SCHEMBL1261683 | 0.63 | HSP90AB1 (0.47) | TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0259804-B1 | Pyrido[3,2,1-ij]-1,3,4-benzoxadiazine derivatives, process for their preparation, resulting pharmaceutical preparations and intermediates for use in the process | HOFFMANN LA ROCHE (CH) | 1993-11-18 | — | — | EP | disclosed |
| EP-0259804-A2 | Pyrido[3,2,1-ij]-1,3,4-benzoxadiazine derivatives, process for their preparation, resulting pharmaceutical preparations and intermediates for use in the process | F. HOFFMANN-LA ROCHE AG (CH) | 1988-03-16 | — | — | EP | disclosed |