Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 8/20 | 0.42 |
| ▸ | PDE5A | O76074 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.31 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.31 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL15122418 | 0.85 | MRGPRX4 (0.50) | MRGPRX4PDE5APTGER1 | |
| SCHEMBL30078109 | 0.82 | MRGPRX4 (0.52) | MRGPRX4PDE5AKDM4EPTGER1 | |
| SCHEMBL15065597 | 0.82 | MRGPRX4 (0.52) | MRGPRX4PDE5AKDM4EPTGER1 | |
| Trifluoroacetic Acid SCHEMBL15065518 | 0.68 | MRGPRX4 (0.35) | MRGPRX4 | |
| SCHEMBL31482076 | 0.67 | PTGDR2 (0.48) | MRGPRX4KDM4EALDH1A1 | |
| SCHEMBL15064355 | 0.67 | MRGPRX4 (0.58) | MRGPRX4 | |
| SCHEMBL30078065 | 0.67 | MRGPRX4 (0.58) | MRGPRX4 | |
| SCHEMBL15065601 | 0.66 | GABRP (0.39) | MRGPRX4ALDH1A1HSD17B10CYP1A2CYP2C9 | |
| SCHEMBL15065829 | 0.66 | MRGPRX4 (0.53) | MRGPRX4PDE5A | |
| SCHEMBL7054278 | 0.66 | CCNB2 (0.49) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111454200-A | Compounds and their use for modulating hemoglobin | 全球血液疗法股份有限公司 | 2020-07-28 | — | — | CN | disclosed |