Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22710318 | 0.86 | CES1 (0.40) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL19980206 | 0.83 | TSHR (0.41) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL20344509 | 0.78 | CES1 (0.45) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL7628959 | 0.78 | CES1 (0.48) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL21155968 | 0.75 | CES1 (0.42) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL20344668 | 0.72 | CES2 (0.39) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL23997585 | 0.70 | CYP2C9 (0.40) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL10194479 | 0.69 | CTBP2 (0.67) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL21695701 | 0.69 | CES2 (0.44) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL60236 | 0.69 | MEN1 (0.65) | CES1CES2AKR1B1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2956452-B1 | HETEROCYCLIC AMIDES AS KINASE INHIBITORS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2018-03-21 | — | — | EP | disclosed |