Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CCR4 | P51679 | 2/20 | 0.46 |
| ▸ | EDNRA | P25101 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21047994 | 1.00 | BRD4 (0.50) | BRD4LMNAMAPTPKMCCR4 | |
| SCHEMBL20576018 | 0.80 | GAA (0.49) | BRD4LMNAMAPTPKMEDNRA | |
| SCHEMBL30634069 | 0.80 | GAA (0.49) | BRD4LMNAMAPTPKMEDNRA | |
| SCHEMBL16111175 | 0.73 | PKM (0.57) | LMNAMAPTPKMCCR4EDNRA | |
| SCHEMBL30634095 | 0.73 | CCR4 (0.60) | LMNAMAPTPKMCCR4GAA | |
| SCHEMBL20575835 | 0.73 | CCR4 (0.60) | LMNAMAPTPKMCCR4GAA | |
| SCHEMBL16110825 | 0.71 | ALDH1A1 (0.68) | BRD4LMNAPKMEDNRAGAA | |
| SCHEMBL22034239 | 0.71 | SLC22A12 (0.55) | BRD4LMNAMAPTPKMCCR4 | |
| SCHEMBL22034355 | 0.71 | CCR4 (0.55) | BRD4LMNAMAPTPKMCCR4 | |
| SCHEMBL22034323 | 0.71 | PKM (0.57) | LMNAMAPTPKMCCR4EDNRA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111566089-B | IRE1 small molecule inhibitors | 康奈尔大学 | 2023-11-17 | — | — | CN | disclosed |