Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 2/20 | 0.33 |
| ▸ | ATRIP | Q8WXE1 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | KHK | P50053 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | MTOR | P42345 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL24698349 | 0.88 | MTOR (0.36) | ATRATRIPCYP1A2CYP2C19MEN1 | |
| SCHEMBL30015473 | 0.88 | MTOR (0.36) | ATRATRIPCYP1A2CYP2C19MEN1 | |
| SCHEMBL24699256 | 0.87 | MEN1 (0.37) | ATRATRIPCYP1A2CYP2C19MEN1 | |
| SCHEMBL24697799 | 0.86 | ATR (0.43) | ATRATRIPCYP1A2CYP2C19MEN1 | |
| SCHEMBL30015725 | 0.86 | ATR (0.43) | ATRATRIPCYP1A2CYP2C19MEN1 | |
| SCHEMBL30015541 | 0.85 | MTOR (0.42) | ATRATRIPCYP1A2CYP2C19MEN1 | |
| SCHEMBL24698462 | 0.85 | MTOR (0.42) | ATRATRIPCYP1A2CYP2C19MEN1 | |
| SCHEMBL24698949 | 0.84 | SYK (0.38) | ATRATRIPCYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL24698473 | 0.84 | USP30 (0.41) | MEN1KMT2AALDH1A1MTORGAA | |
| SCHEMBL24698637 | 0.84 | MTOR (0.36) | ATRATRIPCYP1A2CYP2C19MEN1 |
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-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |