Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | GRN | P28799 | 1/20 | 0.31 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.31 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20197189 | 0.82 | HDAC8 (0.36) | HDAC8NOS3NOS2 | |
| SCHEMBL10223946 | 0.81 | ESR1 (0.40) | GRNSORT1NUDT1CYP1A2POLB | |
| SCHEMBL15498160 | 0.79 | UHRF1 (0.46) | POLBNOS3NOS1NOS2KDM4E | |
| SCHEMBL28161002 | 0.79 | KIF11 (0.44) | LMNACYP3A4 | |
| SCHEMBL14086544 | 0.78 | — | — | |
| SCHEMBL20197253 | 0.78 | GRN (0.30) | GRNSORT1NUDT1CYP1A2POLB | |
| SCHEMBL10034535 | 0.78 | KIF11 (0.39) | GRNSORT1CYP1A2POLBNOS3 | |
| SCHEMBL11926806 | 0.78 | NOS3 (0.52) | GRNSORT1CYP1A2POLBNOS3 | |
| SCHEMBL26271631 | 0.78 | FERMT2 (0.32) | GRNSORT1NUDT1CYP1A2POLB | |
| SCHEMBL11955026 | 0.78 | ALDH1A1 (0.38) | GRNSORT1CYP1A2POLB |
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-3038622-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECH LLC (US) | 2018-05-30 | — | — | EP | disclosed |