Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.43 |
| ▸ | KLK6 | Q92876 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | IDE | P14735 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2238435 | 0.84 | CYP3A4 (0.44) | ALDH1A1MAPTCYP3A4CYP2C9ATM | |
| SCHEMBL4776165 | 0.82 | CCKBR (0.52) | ALDH1A1MAPTCYP3A4KMT2ACYP2C9 | |
| SCHEMBL4769062 | 0.81 | ADRB2 (0.46) | ADORA2AKDM4EALDH1A1MAPTADORA1 | |
| SCHEMBL4773144 | 0.78 | ADORA2A (0.47) | ADORA2AKDM4EALDH1A1GAAMAPT | |
| SCHEMBL4768684 | 0.77 | ADORA2A (0.43) | ADORA2AADORA1ADORA3CYP3A4ADORA2B | |
| SCHEMBL4769102 | 0.77 | KMT2A (0.55) | ADORA2AALDH1A1GAAMAPTADORA1 | |
| SCHEMBL2239979 | 0.77 | SPR (0.42) | ALDH1A1CYP3A4CYP2C9ATM | |
| SCHEMBL4768822 | 0.77 | SMN1; SMN2 (0.60) | ADORA2AKDM4EALDH1A1GAAMAPT | |
| SCHEMBL4766014 | 0.77 | ADORA1 (0.47) | ADORA2AALDH1A1ADORA1ADORA3CYP3A4 | |
| SCHEMBL4770635 | 0.76 | CYP1A2 (0.52) | ADORA2AKDM4EALDH1A1GAAMAPT |
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 |