Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | TYK2 | P29597 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6642910 | 0.85 | POLB (0.59) | HCAR3RAB9AKDM4ENPC1MAPT | |
| SCHEMBL1345024 | 0.83 | HCAR3 (0.54) | HCAR3RAB9AKDM4ENPC1MAPT | |
| SCHEMBL9592348 | 0.83 | HCAR3 (0.70) | HCAR3RAB9AKDM4ENPC1MAPT | |
| SCHEMBL24101021 | 0.82 | HCAR3 (0.67) | HCAR3RAB9AKDM4ENPC1MAPT | |
| SCHEMBL17365710 | 0.82 | HCAR3 (0.71) | HCAR3RAB9AKDM4ENPC1MAPT | |
| SCHEMBL28282999 | 0.81 | HCAR3 (0.66) | HCAR3 | |
| SCHEMBL3233434 | 0.78 | HCAR3 (0.49) | HCAR3MAPTHPGDMEN1ALDH1A1 | |
| SCHEMBL12380464 | 0.78 | HCAR3 (0.60) | HCAR3RAB9AKDM4ENPC1MAPT | |
| SCHEMBL11565569 | 0.77 | SMN1; SMN2 (0.56) | HCAR3RAB9AKDM4ENPC1MAPT | |
| SCHEMBL31141602 | 0.77 | RAB9A (0.52) | HCAR3RAB9ANPC1MAPTGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106061967-B | The nicotinamide compounds replaced through heteroaryl | 百时美施贵宝公司 | 2019-04-19 | — | — | CN | disclosed |
| CN-106061967-A | Heteroaryl substituted nicotinamide compounds | 百时美施贵宝公司 | 2016-10-26 | — | — | CN | disclosed |