Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.63 |
| ▸ | CTSL | P07711 | 1/20 | 0.56 |
| ▸ | CTSB | P07858 | 1/20 | 0.56 |
| ▸ | CTSK | P43235 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | DPP4 | P27487 | 3/20 | 0.54 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | TLR4 | O00206 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL22905145 | 0.93 | ALDH1A1 (0.64) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL21362723 | 0.93 | ALDH1A1 (0.64) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL472602 | 0.93 | ALDH1A1 (0.64) | ALDH1A1GAATSHREPHX1CTSL | |
| Hydrochloric Acid SCHEMBL27603388 | 0.92 | ALDH1A1 (0.63) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL15080021 | 0.91 | ALDH1A1 (0.63) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL1192342 | 0.90 | ALDH1A1 (0.64) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL1192341 | 0.90 | ALDH1A1 (0.64) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL3948456 | 0.89 | ALDH1A1 (0.85) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL3948461 | 0.89 | ALDH1A1 (0.85) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL381922 | 0.89 | ALDH1A1 (0.85) | ALDH1A1GAATSHREPHX1CTSL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011062853-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-05-26 | — | — | WO | disclosed |