Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | PDXK | O00764 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14421997 | 1.00 | NOS2 (0.31) | NOS2CCR1CCR5CCR8NOS3 | |
| SCHEMBL23732288 | 0.85 | NOS2 (0.34) | NOS2CCR1CCR5CCR8NOS3 | |
| SCHEMBL19622314 | 0.84 | PDXK (0.37) | NOS2CCR1CCR5CCR8NOS3 | |
| SCHEMBL18899112 | 0.82 | PDXK (0.32) | PDXK | |
| SCHEMBL17865350 | 0.80 | DYRK1A (0.31) | — | |
| SCHEMBL7235627 | 0.76 | NOS2 (0.45) | NOS2CCR1CCR5CCR8NOS3 | |
| SCHEMBL7235622 | 0.76 | NOS2 (0.45) | NOS2CCR1CCR5CCR8NOS3 | |
| SCHEMBL11881227 | 0.74 | CCR1 (0.37) | NOS2CCR1CCR5CCR8NOS3 | |
| SCHEMBL18198308 | 0.73 | NOS2 (0.42) | NOS2CCR1CCR5CCR8NOS3 | |
| SCHEMBL19953987 | 0.73 | NOS2 (0.31) | NOS2CCR1CCR5CCR8NOS3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3652168-B1 | 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-06-30 | — | — | EP | disclosed |
| WO-2020023802-A1 | PARG INHIBITORS AND METHOD OF USE THEREOF | CITY OF HOPE (US) | 2020-01-30 | — | — | WO | disclosed |
| EP-2906541-B1 | GUANIDINE AND AMINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-11-22 | — | — | EP | disclosed |
| EP-2906552-B1 | GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-11-22 | — | — | EP | disclosed |
| WO-2009081718-A1 | TRIAZOLE DERIVATIVE, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE | SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |