Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.34 |
| ▸ | FNTB | P49356 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | ALPI | P09923 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20344645 | 0.83 | CYP2C9 (0.38) | CES1CES2AKR1B1HIF1AHSD11B1 | |
| SCHEMBL19980271 | 0.83 | CNR2 (0.37) | CES1CES2AKR1B1ALDH1A1MEN1 | |
| SCHEMBL20344509 | 0.72 | CES1 (0.45) | CES1CES2AKR1B1HIF1AALDH1A1 | |
| SCHEMBL19980209 | 0.72 | CES1 (0.45) | CES1CES2AKR1B1HIF1AALDH1A1 | |
| SCHEMBL24489077 | 0.72 | MEN1 (0.38) | CES1CES2AKR1B1HIF1AALDH1A1 | |
| SCHEMBL5814041 | 0.70 | CES1 (0.50) | CES1CES2AKR1B1HIF1AALDH1A1 | |
| SCHEMBL31476894 | 0.70 | CES1 (0.50) | CES1CES2AKR1B1HIF1AALDH1A1 | |
| SCHEMBL3171335 | 0.69 | CES1 (0.54) | CES1CES2AKR1B1HIF1AALDH1A1 | |
| SCHEMBL15964731 | 0.69 | CES1 (0.41) | CES1CES2AKR1B1HIF1AALDH1A1 | |
| SCHEMBL20954396 | 0.68 | CES1 (0.48) | CES1CES2AKR1B1HIF1AALDH1A1 |
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-3342771-B1 | HETEROCYCLIC AMIDES AS KINASE INHIBITORS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2020-11-25 | — | — | EP | disclosed |
| EP-3342771-A1 | HETEROCYCLIC AMIDES AS KINASE INHIBITORS | GlaxoSmithKline Intellectual Property Development Ltd (GB) | 2018-07-04 | — | — | EP | disclosed |