Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL2053635 | 0.78 | NOS3 (0.35) | NOS3NOS2ALDH1A1TSHRNOS1 | |
| SCHEMBL9278938 | 0.72 | — | — | |
| SCHEMBL20656877 | 0.72 | — | — | |
| SCHEMBL20789277 | 0.70 | NOS3 (0.33) | NOS3NOS2ALDH1A1TSHRNOS1 | |
| SCHEMBL11654154 | 0.68 | — | — | |
| SCHEMBL28089091 | 0.68 | — | — | |
| SCHEMBL2052473 | 0.67 | NOS3 (0.32) | NOS3NOS2ALDH1A1TSHRNOS1 | |
| SCHEMBL29539147 | 0.66 | KIF11 (0.42) | NOS3NOS2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL27858991 | 0.66 | PIK3C3 (0.32) | NOS3NOS2ALDH1A1TSHRNOS1 | |
| SCHEMBL13326834 | 0.66 | NOS3 (0.37) | NOS3NOS2ALDH1A1TSHRNOS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2569316-A1 | PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES | Abbvie Inc. (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143459-A1 | PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2011-11-17 | — | — | WO | disclosed |