Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 2/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | S100A9 | P06702 | 1/20 | 0.30 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.30 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL30511573 | 0.83 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1APPPGK1KMO | |
| SCHEMBL25369248 | 0.83 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1APPPGK1KMO | |
| SCHEMBL29900301 | 0.79 | ALDH1A1 (0.52) | ALDH1A1APPKMOTTRSLC1A5 | |
| SCHEMBL851413 | 0.79 | ALDH1A1 (0.52) | ALDH1A1APPKMOTTRSLC1A5 | |
| Formaldehyde SCHEMBL28088170 | 0.77 | ALDH1A1 (0.48) | ALDH1A1APPKMOTTRSLC1A5 | |
| SCHEMBL670107 | 0.76 | ALDH1A1 (0.52) | ALDH1A1APPTTRNOTUMTSHR | |
| SCHEMBL8950525 | 0.75 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1TTRKMT2A | |
| SCHEMBL20763063 | 0.75 | PGK1 (0.40) | PGK1KMOSLC1A5NOTUMGRIA1 | |
| SCHEMBL23213574 | 0.74 | CYP3A4 (0.37) | ALDH1A1PGK1KMOSLC1A5NOTUM | |
| SCHEMBL25885261 | 0.73 | GAA (0.41) | ALDH1A1APPKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2773634-B1 | ROD-LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2-[4-(BIPHENYL-4-YL)-1H-IMIDAZO-2-YL]PYRROLIDINE-1-CARBONLYMETHYL}AMINE | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2018-06-06 | — | — | EP | disclosed |