Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | BCR | P11274 | 2/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16184211 | 0.91 | CYP2C19 (0.56) | APPCYP2C19CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL1816823 | 0.89 | ERN1 (0.50) | APPCYP2C19RPS6KA3ABCB1ABL1 | |
| SCHEMBL13865595 | 0.89 | ERN1 (0.52) | APPCYP2C19CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL18559416 | 0.84 | ACHE (0.52) | APPCYP2C19CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL16183020 | 0.84 | ACHE (0.52) | APPCYP2C19CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL12625738 | 0.84 | CYP11B1 (0.41) | APPCYP2C19CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL19801831 | 0.83 | CYP11B1 (0.52) | APPCYP2C19CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL24018568 | 0.83 | ESR2 (0.63) | APPCYP2C19RPS6KA3ABCB1ABL1 | |
| SCHEMBL19134460 | 0.83 | ESR2 (0.63) | APPCYP2C19RPS6KA3ABCB1ABL1 | |
| SCHEMBL20886677 | 0.82 | APP (0.56) | APPCYP2C19RPS6KA3ABCB1ABL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9404038-B2 | Cyclopropyl-bearing liquid crystal compounds and mixtures | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2016-08-02 | — | — | US | disclosed |
| US-20160168461-A1 | CYCLOPROPYL-BEARING LIQUID CRYSTAL COMPOUNDS AND MIXTURES | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2016-06-16 | — | — | US | disclosed |