Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 3/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | IGF1R | P08069 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 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 | |
|---|---|---|---|---|
| SCHEMBL9493680 | 0.87 | CYP3A4 (0.38) | NT5E | |
| SCHEMBL10505030 | 0.78 | NT5E (0.47) | NT5EADORA2AADORA1TLR7NPSR1 | |
| SCHEMBL29029750 | 0.77 | ELANE (0.49) | NT5EADORA2AADORA1TLR7NPSR1 | |
| SCHEMBL9494064 | 0.76 | NT5E (0.43) | NT5EADORA2AADORA1NPSR1KDM4E | |
| SCHEMBL11828023 | 0.74 | NT5E (0.43) | NT5EADORA2AADORA1NPSR1KDM4E | |
| SCHEMBL11829205 | 0.74 | NT5E (0.50) | NT5EADORA2AADORA1TLR7NPSR1 | |
| SCHEMBL11831553 | 0.74 | NT5E (0.43) | NT5EADORA2AADORA1TLR7NPSR1 | |
| SCHEMBL1746784 | 0.73 | NT5E (0.43) | NT5EADORA2AADORA1TLR7NPSR1 | |
| SCHEMBL693661 | 0.70 | NT5E (0.62) | NT5EADORA2AADORA1TLR7NPSR1 | |
| SCHEMBL30106719 | 0.69 | NT5E (0.41) | NT5EADORA2AADORA1TLR7KDM4E |
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-0113432-B1 | CHLOROMETHYL QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE | ALKALOIDA VEGYéSZETI GYáR (HU) | 1993-03-17 | — | — | EP | claimed |