Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9545204 | 0.83 | CYP2D6 (0.34) | HTR2ACYP2D6MEN1KMT2A | |
| SCHEMBL23513879 | 0.73 | EDNRA (0.32) | — | |
| SCHEMBL6045293 | 0.71 | HTR2A (0.35) | HTR2AMEN1GAAKMT2A | |
| SCHEMBL8527375 | 0.71 | HTR5A (0.33) | HTR2A | |
| SCHEMBL29354632 | 0.70 | KDM1A (0.37) | HTR2AMEN1GAAKMT2A | |
| Hydrochloric Acid SCHEMBL7724483 | 0.70 | KDM1A (0.36) | HTR2A | |
| SCHEMBL3750452 | 0.69 | ATM (0.43) | HTR2AMEN1GAAKMT2A | |
| SCHEMBL9298612 | 0.67 | POLB (0.34) | — | |
| SCHEMBL19696034 | 0.67 | KDM1A (0.31) | — | |
| SCHEMBL24596781 | 0.67 | — | — |
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-111499580-A | Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2020-08-07 | — | — | CN | disclosed |
| CN-111471021-A | Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2020-07-31 | — | — | CN | disclosed |