Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18493501 | 0.80 | KCNH2 (0.46) | CYP1A2GRM5KCNH2KMT2ACREBBP | |
| SCHEMBL28520245 | 0.80 | GRM5 (0.45) | CYP1A2GRM5KCNH2CREBBPBRD4 | |
| SCHEMBL18493506 | 0.75 | KCNH2 (0.42) | CYP1A2GRM5KCNH2CREBBPBRD4 | |
| SCHEMBL18493508 | 0.74 | KCNH2 (0.41) | CYP1A2GRM5KCNH2CREBBPBRD4 | |
| SCHEMBL436471 | 0.72 | KMT2A (0.34) | CYP1A2GRM5KMT2AFFAR1KDM4E | |
| SCHEMBL251314 | 0.72 | PTGDR2 (0.40) | CYP1A2KMT2AKDM4EALDH1A1GABRA1 | |
| SCHEMBL7314614 | 0.72 | GRM5 (0.46) | CYP1A2GRM5KCNH2CREBBPBRD4 | |
| SCHEMBL9493041 | 0.71 | DRD2 (0.36) | KMT2AKDM4EALDH1A1GABRA1GABRB2 | |
| SCHEMBL10693703 | 0.70 | GABRA1 (0.45) | CYP1A2KCNH2KMT2AKDM4EALDH1A1 | |
| SCHEMBL11247306 | 0.70 | CYP1A2 (0.49) | CYP1A2GRM5KCNH2KMT2ACREBBP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6174573-B1 | 3,4'-(HALO OR HALOGEN),4-((CYCLO)ALK(OXY)CARBONYLOXY)-DIPHENYLACETYLENE COMPOUNDS WHICH INCREASE THE N-I POINT (NEMATIC ANISOTROPY PHASE TRANSITION TEMPERATURE), AND THE DOUBLE REFRACTIVE INDEX | CITIZEN WATCH CO., LTD. (JP) | 2001-01-16 | — | — | US | disclosed |
| JP-2000026340-A | FLUOROBIPHENYL DERIVATIVE | ASAHI DENKA KOGYO KK | 2000-01-25 | — | — | JP | disclosed |
| US-5972244-A | INCREASE THE N-I POINT, DECREASE VISCOSITY, AND INCREASE DOUBLE REFRACTIVE INDEX OF A LIQUID CRYSTAL COMPOSITION WITHOUT AFFECTING THRESHOLD VOLTAGE | CITIZEN WATCH CO., LTD. (JP) | 1999-10-26 | — | — | US | disclosed |