Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30342183 | 0.83 | CTSK (0.48) | CYP3A4ALDH1A1SLC6A9SLC6A5TP53 | |
| SCHEMBL29005203 | 0.83 | CNR1 (0.43) | KMT2ACYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL29005197 | 0.74 | CYP1A2 (0.41) | ALDH1A1NPSR1CYP1A2SLC6A9SLC6A5 | |
| SCHEMBL29005164 | 0.72 | CTSK (0.49) | SLC6A9SLC6A5TP53LMNACTSK | |
| SCHEMBL30345149 | 0.71 | TP53 (0.50) | SLC6A9SLC6A5TP53LMNACTSK | |
| SCHEMBL2357688 | 0.71 | KMT2A (0.76) | KMT2ASLC6A2SLC6A3TDP1CYP3A4 | |
| SCHEMBL2705832 | 0.71 | KMT2A (0.76) | KMT2ASLC6A2SLC6A3TDP1CYP3A4 | |
| Hydrochloric Acid SCHEMBL29005181 | 0.70 | TP53 (0.49) | SLC6A9SLC6A5TP53LMNACTSK | |
| SCHEMBL10611772 | 0.69 | KMT2A (0.73) | KMT2ASLC6A2SLC6A3TDP1CYP3A4 | |
| SCHEMBL26263147 | 0.67 | KMT2A (0.64) | KMT2ASLC6A2SLC6A3TDP1CYP3A4 |
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-116134018-A | 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor | 默沙东有限责任公司 | 2023-05-16 | — | — | CN | disclosed |