Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | FASN | P49327 | 1/20 | 0.38 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.38 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31067155 | 0.83 | NPC1 (0.49) | GRM2APPPDE3BPDE3ACNR1 | |
| SCHEMBL20898100 | 0.83 | NPC1 (0.49) | GRM2APPPDE3BPDE3ACNR1 | |
| SCHEMBL29097686 | 0.83 | AHR (0.42) | AHRGRM2AKR1C3AKR1C2KMO | |
| SCHEMBL31339480 | 0.83 | AHR (0.63) | AHRDPP4CNR1KDM4ENPC1 | |
| SCHEMBL23638836 | 0.82 | GRM2 (0.49) | AHRGRM2KMOEGLN2CNR1 | |
| SCHEMBL20898215 | 0.82 | CNR1 (0.51) | GRM2DPP4PDE3BPDE3AEGLN2 | |
| SCHEMBL31067089 | 0.82 | CNR1 (0.51) | GRM2DPP4PDE3BPDE3AEGLN2 | |
| SCHEMBL23638850 | 0.81 | S100A4 (0.46) | AHRGRM2KMOEGLN2TP53 | |
| SCHEMBL30598347 | 0.81 | S100A4 (0.46) | AHRGRM2KMOEGLN2TP53 | |
| SCHEMBL14926554 | 0.79 | TTR (0.46) | GRM2KMOPDE3BPDE3ACNR1 |
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-116948656-B | Application of ionic liquid in preparation of fluoroalkyl cyclohexyl biphenyl liquid crystal compounds | 河北美星化工有限公司 | 2024-07-09 | — | — | CN | disclosed |
| CN-116948656-A | Application of ionic liquid in preparation of fluoroalkyl cyclohexyl biphenyl liquid crystal compounds | 河北美星化工有限公司 | 2023-10-27 | — | — | CN | disclosed |