Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6990113 | 1.00 | ALDH1A1 (0.38) | ALDH1A1HTTKDM4EMAPK1ROCK1 | |
| SCHEMBL6996524 | 1.00 | ALDH1A1 (0.38) | ALDH1A1HTTKDM4EMAPK1ROCK1 | |
| Hydrochloric Acid SCHEMBL6987659 | 0.99 | ALDH1A1 (0.37) | ALDH1A1HTTKDM4EMAPK1ROCK1 | |
| Hydrochloric Acid SCHEMBL6996549 | 0.99 | ALDH1A1 (0.37) | ALDH1A1HTTKDM4EMAPK1ROCK1 | |
| Hydrochloric Acid SCHEMBL6987661 | 0.99 | ALDH1A1 (0.37) | ALDH1A1HTTKDM4EMAPK1ROCK1 | |
| SCHEMBL6994315 | 0.93 | SMN1; SMN2 (0.40) | ALDH1A1HTTKDM4EMAPK1ROCK1 | |
| Hydrochloric Acid SCHEMBL6990047 | 0.92 | SMN1; SMN2 (0.40) | ALDH1A1HTTKDM4EMAPK1ROCK1 | |
| Revaprazan SCHEMBL2194461 | 0.91 | MEN1 (0.40) | ALDH1A1KDM4EMAPK1ROCK1LMNA | |
| Revaprazan SCHEMBL6993033 | 0.91 | MEN1 (0.40) | ALDH1A1KDM4EMAPK1ROCK1LMNA | |
| Revaprazan SCHEMBL29388090 | 0.91 | MEN1 (0.40) | ALDH1A1KDM4EMAPK1ROCK1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0775120-B1 | NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | YUHAN CORP (KR) | 2003-06-04 | — | — | EP | claimed |