Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.56 |
| ▸ | KIF11 | P52732 | 4/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6894804 | 0.87 | ESR1 (0.60) | ESR1ESR2KIF11ATMCYP1A2 | |
| SCHEMBL28289374 | 0.82 | ESR1 (0.56) | ESR1ESR2ATMCYP1A2CYP2C9 | |
| SCHEMBL28290844 | 0.82 | ESR1 (0.56) | ESR1ESR2KIF11ATMCYP1A2 | |
| SCHEMBL28289373 | 0.81 | ESR1 (0.59) | ESR1ESR2KIF11ATMCYP1A2 | |
| SCHEMBL15700645 | 0.78 | ESR1 (0.51) | ESR1ESR2ATMCYP1A2CYP2C9 | |
| SCHEMBL15700643 | 0.78 | ESR1 (0.56) | ESR1ESR2ATM | |
| SCHEMBL28289375 | 0.78 | ESR1 (0.51) | ESR1ESR2KIF11ATMNPC1 | |
| SCHEMBL15700648 | 0.76 | ESR1 (0.53) | ESR1ESR2ATMCYP1A2CYP2C9 | |
| SCHEMBL15700641 | 0.76 | ESR1 (0.49) | ESR1ESR2ATMCYP1A2CYP2C19 | |
| SCHEMBL1443801 | 0.72 | KCNN4 (0.47) | KIF11ATMCYP2C9CYP2C19KCNN4 |
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-109694333-A | The non-solvent preparation of disubstituted malononitrile derivative | 西华大学 | 2019-04-30 | — | — | CN | disclosed |