Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 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 | |
|---|---|---|---|---|
| SCHEMBL13590587 | 0.80 | ALDH1A1 (0.45) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL29225630 | 0.76 | GABRP (0.43) | ALDH1A1POLBMEN1KMT2ATDP1 | |
| SCHEMBL20346109 | 0.73 | KDM4E (0.50) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL1945483 | 0.73 | ALDH1A1 (0.58) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL29135752 | 0.73 | MEN1 (0.43) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL17267968 | 0.73 | IDO1 (0.40) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL25695984 | 0.71 | ATM (0.40) | KDM4EALDH1A1POLBMAPTMEN1 | |
| SCHEMBL20346114 | 0.70 | GABRP (0.46) | KDM4EALDH1A1HPGDHSD17B10POLB | |
| SCHEMBL26601718 | 0.70 | KMT2A (0.45) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL31211735 | 0.69 | KDM4E (0.42) | KDM4EALDH1A1HPGDHSD17B10POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023205465-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |