Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15964777 | 0.85 | IDO1 (0.42) | ALDH1A1IDO1MEN1KMT2ANPC1 | |
| SCHEMBL19980341 | 0.84 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2KMT2AHDAC8HDAC6 | |
| SCHEMBL20344605 | 0.80 | CES1 (0.42) | CES2CES1AKR1B1CYP2C9HIF1A | |
| SCHEMBL554389 | 0.75 | ALDH1A1 (0.42) | CES2CES1AKR1B1CYP2C9ALDH1A1 | |
| SCHEMBL554390 | 0.75 | ALDH1A1 (0.42) | CES2CES1AKR1B1CYP2C9ALDH1A1 | |
| SCHEMBL19980318 | 0.75 | CES1 (0.44) | CES2CES1AKR1B1CYP2C9HIF1A | |
| Acetic Acid SCHEMBL3665413 | 0.74 | CES1 (0.52) | CES2CES1AKR1B1PLAUHIF1A | |
| Phenylacetic Acid SCHEMBL27698943 | 0.73 | AKR1B1 (0.68) | CES2CES1AKR1B1PLAUHIF1A | |
| SCHEMBL18755787 | 0.72 | TSHR (0.40) | CES2CES1AKR1B1ALDH1A1MEN1 | |
| SCHEMBL19980209 | 0.72 | CES1 (0.45) | CES2CES1AKR1B1PLAUCYP2C9 |
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-3342771-B1 | HETEROCYCLIC AMIDES AS KINASE INHIBITORS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2020-11-25 | — | — | EP | disclosed |
| EP-3375780-B1 | HETEROCYCLIC AMIDES AS KINASE INHIBITORS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2020-06-03 | — | — | EP | disclosed |
| EP-3508484-A1 | HETEROCYCLIC AMIDES AS KINASE INHIBITORS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2019-07-10 | — | — | EP | disclosed |
| EP-3342771-A1 | HETEROCYCLIC AMIDES AS KINASE INHIBITORS | GlaxoSmithKline Intellectual Property Development Ltd (GB) | 2018-07-04 | — | — | EP | disclosed |
| EP-2956452-B1 | HETEROCYCLIC AMIDES AS KINASE INHIBITORS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2018-03-21 | — | — | EP | disclosed |