Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 11/20 | 0.36 |
| ▸ | MAP2K2 | P36507 | 7/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL14257414 | 0.79 | NPC1 (0.41) | NPC1RAB9AALDH1A1POLBMAP2K1 | |
| SCHEMBL12810855 | 0.78 | NPC1 (0.42) | NPC1RAB9AALDH1A1POLBMAP2K1 | |
| SCHEMBL12810857 | 0.74 | NPC1 (0.41) | NPC1RAB9AALDH1A1POLBMAP2K1 | |
| SCHEMBL13825680 | 0.74 | NPC1 (0.42) | NPC1RAB9AALDH1A1POLBMAP2K1 | |
| SCHEMBL1418851 | 0.74 | RAB9A (0.63) | NPC1RAB9AALDH1A1POLBL3MBTL1 | |
| SCHEMBL3332514 | 0.66 | KMT2A (0.68) | ALDH1A1POLBMAP2K1MAP2K2HTT | |
| SCHEMBL14257536 | 0.65 | MAP2K1 (0.43) | ALDH1A1MAP2K1MAP2K2HTT | |
| SCHEMBL2650449 | 0.65 | HDAC1 (0.58) | NPC1RAB9AALDH1A1POLBMAP2K1 | |
| SCHEMBL7469020 | 0.64 | ALDH1A1 (0.46) | ALDH1A1MAP2K1MAP2K2 | |
| SCHEMBL14878834 | 0.63 | MAP2K1 (0.43) | NPC1RAB9APOLBMAP2K1MAP2K2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2298768-B1 | 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer | JAPAN TOBACCO INC (JP) | 2012-11-14 | — | — | EP | disclosed |