Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | EDNRA | P25101 | 3/20 | 0.47 |
| ▸ | EDNRB | P24530 | 1/20 | 0.47 |
| ▸ | CCR4 | P51679 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21047976 | 1.00 | PKM (0.58) | PKMHSD11B1GAALMNAEDNRA | |
| SCHEMBL30634104 | 0.84 | PKM (0.60) | PKMHSD11B1GAALMNAEDNRA | |
| SCHEMBL21047981 | 0.84 | PKM (0.60) | PKMHSD11B1GAALMNAEDNRA | |
| SCHEMBL22034364 | 0.83 | PKM (0.63) | PKMHSD11B1GAALMNAEDNRA | |
| SCHEMBL24220881 | 0.81 | PKM (0.57) | PKMHSD11B1GAALMNAEDNRA | |
| SCHEMBL21048010 | 0.81 | CCR4 (0.60) | PKMHSD11B1GAALMNAEDNRA | |
| SCHEMBL16110380 | 0.76 | HSD11B1 (0.81) | PKMHSD11B1GAALMNAEDNRA | |
| SCHEMBL22086602 | 0.74 | PKM (0.49) | PKMHSD11B1GAALMNAEDNRA | |
| SCHEMBL22034323 | 0.73 | PKM (0.57) | PKMHSD11B1GAALMNAEDNRA | |
| SCHEMBL22088467 | 0.72 | EDNRA (0.56) | PKMGAALMNAEDNRAEDNRB |
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 |