Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6826342 | 0.82 | KMT2A (0.40) | ALDH1A1MAPTHSD17B14KDM4EMEN1 | |
| SCHEMBL6824603 | 0.81 | MAPT (0.39) | ALDH1A1MAPTHPGDHSD17B14LMNA | |
| SCHEMBL6823658 | 0.81 | HSD17B14 (0.36) | ALDH1A1MAPTHPGDHSD17B14KDM4E | |
| SCHEMBL6824151 | 0.80 | IKBKB (0.34) | ALDH1A1MAPTHPGDHSD17B14ADORA2A | |
| SCHEMBL7064551 | 0.80 | ADORA2A (0.41) | ALDH1A1HSD17B14ADORA2AADORA1MEN1 | |
| SCHEMBL6824582 | 0.80 | CYP46A1 (0.39) | ALDH1A1MAPTHPGDHSD17B14KDM4E | |
| SCHEMBL6824690 | 0.80 | IKBKB (0.35) | ALDH1A1MAPTHPGDHSD17B14ADORA2A | |
| SCHEMBL6921921 | 0.80 | CDK1 (0.34) | ALDH1A1MAPTHPGDHSD17B14KDM4E | |
| SCHEMBL6824183 | 0.80 | MAPK14 (0.35) | ALDH1A1MAPTHSD17B14KDM4EADORA2A | |
| SCHEMBL6920876 | 0.80 | KMT2A (0.33) | ALDH1A1MAPTHPGDHSD17B14KDM4E |
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-2004080979-A1 | NOVEL 3-(2-AMINO-4-PYRIMIDINYL)-4-HYDROXYPHENYL KETONE DERIVATIVES | LG LIFE SCIENCES LTD. (KR) | 2004-09-23 | — | — | WO | disclosed |