Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 2/20 | 0.37 |
| ▸ | FABP4 | P15090 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2727228 | 0.88 | ROCK2 (0.49) | ROCK2FABP3FABP4MAPTGABRA1 | |
| SCHEMBL29424818 | 0.86 | ROCK2 (0.48) | ROCK2FABP3FABP4MAPTGABRA1 | |
| Phosphine SCHEMBL27043067 | 0.86 | ROCK2 (0.48) | ROCK2FABP3FABP4MAPTGABRA1 | |
| Carbimide SCHEMBL27867638 | 0.81 | ROCK2 (0.44) | ROCK2FABP3FABP4MAPTGABRA1 | |
| SCHEMBL28001965 | 0.80 | ROCK2 (0.42) | ROCK2TSHRFABP3FABP4GCGR | |
| SCHEMBL23581076 | 0.77 | ROCK2 (0.43) | ROCK2GCGR | |
| SCHEMBL29899326 | 0.76 | ROCK2 (0.43) | ROCK2FABP3FABP4MAPTGABRA1 | |
| Isopropylbenzene SCHEMBL11603704 | 0.76 | SIGMAR1 (0.53) | KDM4ETSHRSIGMAR1ALDH1A1MAPT | |
| SCHEMBL368977 | 0.73 | FABP3 (0.41) | ROCK2FABP3FABP4GABRA1GABRB2 | |
| SCHEMBL30301693 | 0.73 | ROCK2 (0.42) | ROCK2FABP3FABP4GCGRGABRA1 |
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-114560857-A | Pyrimidopyridine compound and application thereof in medicine | 广东东阳光药业有限公司 | 2022-05-31 | — | — | CN | disclosed |