Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 4/20 | 0.45 |
| ▸ | RPS6KB2 | Q9UBS0 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24277485 | 0.80 | PTGES (0.47) | SMPD3RPS6KB2MAPTMEN1KMT2A | |
| SCHEMBL24277664 | 0.78 | MEN1 (0.53) | SMPD3MAPTMEN1KMT2AKDM4E | |
| SCHEMBL26761827 | 0.75 | MAPT (0.44) | SMPD3RPS6KB2MAPTMEN1KMT2A | |
| SCHEMBL12106316 | 0.62 | SMPD3 (1.00) | SMPD3MAPTMEN1KMT2AKDM4E | |
| SCHEMBL26293013 | 0.62 | NPSR1 (0.65) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL899341 | 0.62 | NFKB1 (0.67) | MAPTMEN1KMT2AKDM4EHPGD | |
| SCHEMBL15241060 | 0.61 | CYP3A4 (0.49) | MAPTKMT2AGAAPPARGLMNA | |
| SCHEMBL21315904 | 0.60 | SMPD3 (0.85) | SMPD3MAPTMEN1KMT2AKDM4E | |
| SCHEMBL14611711 | 0.60 | KDM4E (0.54) | RPS6KB2MAPTMEN1KMT2AKDM4E | |
| SCHEMBL31582401 | 0.60 | POLB (0.47) | MAPTKDM4EALDH1A1HPGDHSD17B10 |
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-2022056068-A1 | SMALL MOLECULE INHIBITORS OF ENPP1 | THE REGENTS OF THE UNIVERSITY OFCALIFORNIA (US) | 2022-03-17 | — | — | WO | disclosed |