Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 3/20 | 0.48 |
| ▸ | RXRB | P28702 | 3/20 | 0.48 |
| ▸ | RXRG | P48443 | 3/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30354958 | 0.87 | MAOB (0.60) | RXRARXRBRXRGMAOBAR | |
| SCHEMBL656838 | 0.85 | MRGPRX4 (0.50) | RXRARXRBRXRGMAOBGLA | |
| SCHEMBL11091418 | 0.80 | FFAR4 (0.48) | MAOBGAAMRGPRX4AGXTNPC1 | |
| SCHEMBL14453588 | 0.79 | MRGPRX4 (0.50) | RXRARXRBRXRGMRGPRX4S1PR1 | |
| SCHEMBL12440410 | 0.78 | MAPT (0.54) | RXRARXRBRXRGARGLA | |
| SCHEMBL26460476 | 0.77 | GAA (0.53) | RXRARXRBRXRGARGLA | |
| SCHEMBL21340752 | 0.77 | MAOB (0.58) | MAOBMRGPRX4AGXTCYP1A2CYP3A4 | |
| SCHEMBL11089861 | 0.77 | GAA (0.58) | MAOBGAATSHRMRGPRX4NPC1 | |
| SCHEMBL14855243 | 0.77 | MRGPRX4 (0.48) | RXRARXRBRXRGMAOBGLA | |
| SCHEMBL5583700 | 0.77 | TEAD4 (0.52) | ARGLAPOLBGAATSHR |
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-115955968-A | Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof | 韩国科学技术研究院 | 2023-04-11 | — | — | CN | disclosed |