Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MPI | P34949 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17028823 | 0.93 | ALDH1A1 (0.48) | ALDH1A1KDM4ETSHRMAPTALOX15 | |
| SCHEMBL17028842 | 0.86 | ALDH1A1 (0.56) | ALDH1A1KDM4ETSHRMAPTALOX15 | |
| SCHEMBL17028834 | 0.86 | ALDH1A1 (0.45) | ALDH1A1KDM4ETSHRMAPTALOX15 | |
| SCHEMBL17028845 | 0.86 | ALDH1A1 (0.60) | ALDH1A1KDM4ETSHRMAPTALOX15 | |
| SCHEMBL17028828 | 0.80 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTALOX15TDP1 | |
| SCHEMBL6935906 | 0.80 | ALDH1A1 (0.72) | ALDH1A1KDM4ETSHRMAPTALOX15 | |
| SCHEMBL17028830 | 0.79 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTALOX15TDP1 | |
| SCHEMBL17028825 | 0.76 | ALDH1A1 (0.43) | ALDH1A1KDM4EALOX15TDP1RAB9A | |
| SCHEMBL17028837 | 0.75 | ALDH1A1 (0.43) | ALDH1A1KDM4ETSHRMAPTKMT2A | |
| SCHEMBL17005888 | 0.74 | VEGFA (0.61) | ALDH1A1KDM4ETSHRMAPTALOX15 |
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 |