Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 1/20 | 0.53 |
| ▸ | TLR4 | O00206 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.51 |
| ▸ | CPB1 | P15086 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31380843 | 1.00 | EPHX1 (0.62) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL12526046 | 1.00 | EPHX1 (0.62) | EPHX1ALDH1A1GAATSHRMEN1 | |
| Hydrochloric Acid SCHEMBL31380782 | 0.99 | EPHX1 (0.61) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL22905145 | 0.92 | ALDH1A1 (0.64) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL472602 | 0.92 | ALDH1A1 (0.64) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL21362723 | 0.92 | ALDH1A1 (0.64) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL20438257 | 0.91 | EPHX1 (0.54) | EPHX1ALDH1A1GAATSHRMEN1 | |
| Hydrochloric Acid SCHEMBL27603388 | 0.90 | ALDH1A1 (0.63) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL7198149 | 0.86 | EPHX1 (0.81) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL29134391 | 0.86 | ALDH1A1 (0.67) | EPHX1ALDH1A1GAATSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2501231-B1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2016-12-21 | — | — | EP | disclosed |
| WO-2012121361-A1 | DISPIROPYRROLIDINE DERIVATIVE | 第一三共株式会社 (JP) | 2012-09-13 | — | — | WO | disclosed |
| WO-2011062853-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-05-26 | — | — | WO | disclosed |