Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DBH | P09172 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL27889061 | 0.90 | DBH (0.41) | DBHCYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL4383908 | 0.88 | SLC9A1 (0.48) | DBHCYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL15062690 | 0.87 | IDO1 (0.39) | DBHHTTLMNASMN1; SMN2IDO1 | |
| SCHEMBL29136198 | 0.77 | MAPT (0.46) | DBHLMNASMN1; SMN2IDO1MEN1 | |
| SCHEMBL23212078 | 0.74 | KMT2A (0.41) | MAPK1LMNAALDH1A1KMT2A | |
| SCHEMBL29136189 | 0.74 | MAPT (0.47) | LMNASMN1; SMN2KDM4EKCNA3MEN1 | |
| SCHEMBL29136224 | 0.73 | IDO1 (0.46) | DBHNPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL23211828 | 0.72 | CNR1 (0.36) | — | |
| SCHEMBL29050734 | 0.71 | — | — | |
| SCHEMBL4377626 | 0.71 | CACNB4 (0.45) | CYP1A2CYP3A4MAPK1CYP2C19HTT |
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-117003739-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 安徽中医药大学 | 2023-11-07 | — | — | CN | disclosed |