Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11877693 | 0.69 | KCNMA1 (0.35) | — | |
| SCHEMBL11631498 | 0.67 | ALDH1A1 (0.45) | ALDH1A1MAPTGAASMN1; SMN2 | |
| SCHEMBL27656044 | 0.66 | ALDH1A1 (0.32) | ALDH1A1MEN1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL86412 | 0.66 | MEN1 (0.44) | ALDH1A1MEN1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL2541201 | 0.61 | — | — | |
| SCHEMBL241029 | 0.61 | — | — | |
| SCHEMBL3293919 | 0.61 | — | — | |
| SCHEMBL4099364 | 0.61 | — | — | |
| SCHEMBL16671626 | 0.61 | — | — | |
| SCHEMBL3220940 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274734-B1 | Process for making pyrimidine derivatives | HOFFMAN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |
| EP-0841326-B1 | Process for the preparation of pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2001-05-16 | — | — | EP | disclosed |
| US-6121447-A | STARTING WITH 2-CYANOPYRIMIDINE, WHICH IS PREPARED BY REACTING 2-CHLOROPYRIMIDINE WITH AN ALKALI CYANIDE IN THE PRESENCE OF 1-AZABICYCLO(2,2,2)OCTANE OR 1,4-DIAZABICYCLO(2,2,2)OCTANE | HOFFMANN-LA ROCHE INC. (US) | 2000-09-19 | — | — | US | disclosed |
| US-5883254-A | CYANATION OF PYRIMIDINES BY REACTING WITH AN ALKALI CYANIDE IN THE PRESENCE OF 1-AZABICYCLO(2,2,2)OCTANE OR 1,4-DIAZABICYCLO(2,2,2)OCTANE | HOFFMANN-LA ROCHE INC. (US) | 1999-03-16 | — | — | US | disclosed |
| EP-0841326-A1 | Process for the preparation of pyrimidine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1998-05-13 | — | — | EP | disclosed |