Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KHK | P50053 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | USP8 | P40818 | 1/20 | 0.37 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10087543 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KHKKDM4EGAAUSP8 | |
| SCHEMBL29987465 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KHKKDM4EGAAUSP8 | |
| SCHEMBL589590 | 0.86 | ALDH1A1 (0.45) | ALDH1A1KHKKDM4EGAAUSP8 | |
| SCHEMBL508139 | 0.82 | USP8 (0.42) | ALDH1A1KHKKDM4EGAAUSP8 | |
| SCHEMBL3607648 | 0.81 | KDM4E (0.44) | ALDH1A1KHKKDM4EGAAUSP8 | |
| SCHEMBL391115 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KHKKDM4EGAAUSP8 | |
| SCHEMBL10780291 | 0.80 | ALDH1A1 (0.41) | ALDH1A1KHKKDM4EGAAUSP8 | |
| SCHEMBL28965611 | 0.80 | ALDH1A1 (0.41) | ALDH1A1KHKKDM4EGAACSNK1A1 | |
| SCHEMBL9356027 | 0.79 | USP8 (0.41) | ALDH1A1KHKKDM4EGAAUSP8 | |
| SCHEMBL507982 | 0.79 | USP8 (0.44) | ALDH1A1KHKKDM4EGAAUSP8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000031079-A1 | METHOD FOR PRODUCING PYRIMIDOPTERIDINES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2000-06-02 | — | — | WO | claimed |
| WO-2000031079-A1 | METHOD FOR PRODUCING PYRIMIDOPTERIDINES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2000-06-02 | — | — | WO | disclosed |
| US-4517186-A | BACTERICIDES, FUNGICIDES | MERCK & CO., INC. (US) | 1985-05-14 | — | — | US | disclosed |