Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.31 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL28505292 | 0.87 | S1PR1 (0.37) | DRD2HTR2AHTR2CCYP2C19 | |
| SCHEMBL28505200 | 0.84 | PARP11 (0.38) | DRD2HTR2AHTR2CHTR2BCYP19A1 | |
| SCHEMBL28507951 | 0.83 | ACHE (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28500672 | 0.82 | TYMS (0.39) | MAPTL3MBTL1CYP19A1PDK2 | |
| SCHEMBL28507112 | 0.82 | ACHE (0.43) | DRD2HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL28504434 | 0.81 | PARP1 (0.35) | ALDH1A1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL28496512 | 0.81 | DRD2 (0.35) | DRD2HTR2APDK2 | |
| SCHEMBL28508889 | 0.81 | F7 (0.39) | HTR2AHTR2CMAPTMAPK1 | |
| SCHEMBL28507925 | 0.81 | PBRM1 (0.46) | DRD2CYP19A1 | |
| SCHEMBL28905422 | 0.81 | PARP10 (0.39) | MAPK1L3MBTL1CYP19A1CYP1A2TDP1 |
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-112159411-A | Trifluoromethyl substituted pyrimido [1,3] diaza compound and preparation method thereof | 南京工业大学 | 2021-01-01 | — | — | CN | claimed |
| CN-112159411-A | Trifluoromethyl substituted pyrimido [1,3] diaza compound and preparation method thereof | 南京工业大学 | 2021-01-01 | — | — | CN | disclosed |