Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.37 |
| ▸ | PDE2A | O00408 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29923344 | 0.82 | CCR1 (0.39) | CCR1CCR5CCR8KDM4ENOS3 | |
| SCHEMBL3375901 | 0.81 | CCR1 (0.38) | CCR1CCR5CCR8ACVR1PDE10A | |
| SCHEMBL2923376 | 0.81 | NOS3 (0.40) | CCR1CCR5CCR8ACVR1PDE10A | |
| SCHEMBL4279169 | 0.81 | NOS3 (0.43) | CCR1CCR5CCR8ACVR1PDE10A | |
| Hydrochloric Acid SCHEMBL5748572 | 0.79 | NOS3 (0.42) | CCR1CCR5CCR8ACVR1PDE10A | |
| Hydrochloric Acid SCHEMBL6640376 | 0.79 | NOS3 (0.42) | CCR1CCR5CCR8ACVR1PDE10A | |
| SCHEMBL20687484 | 0.78 | CA1 (0.39) | CCR1CCR5CCR8ACVR1PDE10A | |
| SCHEMBL27588449 | 0.78 | KDM4E (0.60) | KDM4ELMNA | |
| SCHEMBL20277757 | 0.78 | CDK8 (0.43) | PDE10AKDM4ETRPA1CYP1A2CYP3A4 | |
| SCHEMBL3375976 | 0.77 | CCR1 (0.49) | CCR1CCR5CCR8ACVR1PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017029602-A2 | COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-02-23 | — | — | WO | disclosed |