Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 4/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL21733958 | 0.85 | NOS2 (0.39) | NOS2CES2CES1MGLLHDAC8 | |
| SCHEMBL909692 | 0.78 | NOS2 (0.42) | NOS2CES2CES1MGLLHDAC8 | |
| Hydrochloric Acid SCHEMBL4532413 | 0.76 | NOS2 (0.40) | NOS2CES2CES1MGLLHDAC8 | |
| SCHEMBL24043609 | 0.73 | NOS2 (0.48) | NOS2CES2CES1MGLLHDAC8 | |
| SCHEMBL8166352 | 0.73 | — | — | |
| SCHEMBL18800430 | 0.73 | NOS2 (0.48) | NOS2CES2CES1MGLLHDAC8 | |
| SCHEMBL507070 | 0.72 | ALDH1A1 (0.46) | NOS2CES2CES1ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL20819822 | 0.72 | NOS2 (0.42) | NOS2CES2CES1HDAC8HDAC6 | |
| SCHEMBL879167 | 0.71 | NOS2 (0.53) | NOS2CES2CES1MGLLHDAC8 | |
| Hydrochloric Acid SCHEMBL506728 | 0.71 | ALDH1A1 (0.44) | NOS2CES2CES1ALDH1A1TSHR |
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-2020036979-A1 | PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS | GILEAD SCIENCES, INC. (US) | 2020-02-20 | — | — | WO | disclosed |