Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GPR6 | P46095 | 1/20 | 0.34 |
| ▸ | GPR183 | P32249 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17028817 | 0.88 | MGLL (0.41) | ALDH1A1KDM4EALOX15TDP1GPR183 | |
| SCHEMBL17028820 | 0.87 | ALDH1A1 (0.40) | ALDH1A1KDM4EPOLBALOX15TDP1 | |
| SCHEMBL17028825 | 0.86 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP2D6NTRK1POLB | |
| SCHEMBL17028816 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KDM4ENTRK1POLBALOX15 | |
| SCHEMBL17028840 | 0.85 | L3MBTL1 (0.40) | ALDH1A1KDM4EPOLBLMNAHTT | |
| SCHEMBL17028844 | 0.84 | ALDH1A1 (0.52) | ALDH1A1KDM4ECYP2D6TSHRPOLB | |
| SCHEMBL17028827 | 0.84 | MEN1 (0.39) | ALDH1A1KDM4EPOLBLMNAGPR183 | |
| SCHEMBL17028826 | 0.83 | FAAH (0.46) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL17028841 | 0.83 | FAAH (0.42) | ALDH1A1KDM4EPOLBLMNAHTT | |
| SCHEMBL17028837 | 0.82 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP2D6TSHRPOLB |
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-3107542-A1 | PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES | Aerpio Therapeutics, Inc. (US) | 2016-12-28 | — | — | EP | disclosed |
| WO-2015126860-A1 | PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES | AERPIO THERAPEUTICS, INC. (US) | 2015-08-27 | — | — | WO | disclosed |