Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL29631960 | 1.00 | ALDH1A1 (0.34) | ALDH1A1HSD17B10ADORA2AADORA1HPGD | |
| SCHEMBL18992424 | 1.00 | ALDH1A1 (0.34) | ALDH1A1HSD17B10ADORA2AADORA1HPGD | |
| SCHEMBL18992425 | 1.00 | ALDH1A1 (0.34) | ALDH1A1HSD17B10ADORA2AADORA1HPGD | |
| SCHEMBL29631843 | 0.93 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDHIF1ATP53 | |
| SCHEMBL18990207 | 0.93 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDHIF1ATP53 | |
| SCHEMBL18990206 | 0.93 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDHIF1ATP53 | |
| SCHEMBL19013499 | 0.93 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDHIF1ATP53 | |
| SCHEMBL29631915 | 0.93 | ALDH1A1 (0.36) | ALDH1A1HSD17B10ADORA2AADORA1HPGD | |
| SCHEMBL18993024 | 0.93 | ALDH1A1 (0.36) | ALDH1A1HSD17B10ADORA2AADORA1HPGD | |
| SCHEMBL18990675 | 0.89 | ALDH1A1 (0.36) | ALDH1A1HSD17B10ADORA2AADORA1HPGD |
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-2017106352-A1 | CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-06-22 | — | — | WO | disclosed |