Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.40 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.39 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4771872 | 0.76 | CYP2A6 (0.45) | CYP1A2ADORA1ADORA3ADORA2AKMT2A | |
| SCHEMBL18292406 | 0.71 | MAPK14 (0.54) | CYP1A2FFAR1 | |
| SCHEMBL4775017 | 0.71 | CYP2A6 (0.44) | CYP1A2KDM4EKMT2AHIF1ATSHR | |
| SCHEMBL4773536 | 0.71 | CYP2A6 (0.44) | CYP1A2KDM4EKMT2AHIF1ATSHR | |
| SCHEMBL4773513 | 0.71 | CYP2A6 (0.44) | CYP1A2KDM4EKMT2AHIF1ATSHR | |
| SCHEMBL18698106 | 0.71 | KDM4E (0.68) | CYP1A2ADORA1ADORA2AKDM4ETDP1 | |
| SCHEMBL4766345 | 0.70 | CYP2A6 (0.46) | CYP1A2SLC2A1TDP1KMT2AHIF1A | |
| SCHEMBL4774839 | 0.70 | DYRK1A (0.51) | CYP1A2ADORA1ADORA2ATSHRNPC1 | |
| SCHEMBL31747070 | 0.70 | PPP1CA (0.62) | CYP1A2SLC2A1KMT2AHIF1ANPC1 | |
| SCHEMBL7834400 | 0.69 | MAPK14 (0.55) | SLC2A1ADORA1ADORA3ADORA2AKDM4E |
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-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |