Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11068421 | 1.00 | ALDH1A1 (0.36) | ALDH1A1NISCHFFAR4RAB9ANPC1 | |
| SCHEMBL11069741 | 0.91 | SPHK1 (0.44) | ALDH1A1RAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL11069744 | 0.91 | SPHK1 (0.44) | ALDH1A1RAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL11072460 | 0.90 | MAOA (0.37) | ALDH1A1NISCHFFAR4RAB9ANPC1 | |
| SCHEMBL11072458 | 0.90 | MAOA (0.37) | ALDH1A1NISCHFFAR4RAB9ANPC1 | |
| SCHEMBL11070008 | 0.88 | GAA (0.39) | ALDH1A1NISCHFFAR4RAB9ANPC1 | |
| SCHEMBL11070006 | 0.88 | GAA (0.39) | ALDH1A1NISCHFFAR4RAB9ANPC1 | |
| SCHEMBL11195687 | 0.85 | NISCH (0.38) | ALDH1A1NISCHRAB9ANPC1MAPT | |
| SCHEMBL10461205 | 0.84 | IDO1 (0.46) | ALDH1A1NISCHFFAR4RAB9ANPC1 | |
| SCHEMBL10461206 | 0.84 | IDO1 (0.46) | ALDH1A1NISCHFFAR4RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4462923-A | Disubstituted pyrimidines | HOFFMANN-LA ROCHE INC. (US) | 1984-07-31 | — | — | US | disclosed |