Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | UBE2N | P61088 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29136176 | 0.84 | IDO1 (0.47) | HTTTSHRPOLBIDO1ALDH1A1 | |
| SCHEMBL29136188 | 0.83 | RAB9A (0.42) | HTTTSHRPOLBALDH1A1LMNA | |
| SCHEMBL1201646 | 0.82 | RECQL (0.44) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL29136202 | 0.78 | KMT2A (0.55) | TSHRPOLBIDO1ALDH1A1LMNA | |
| SCHEMBL9986644 | 0.73 | FAAH (0.39) | HTTTSHRPOLBALDH1A1MEN1 | |
| SCHEMBL3079067 | 0.73 | P2RX4 (0.44) | HTTPOLBALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL3086229 | 0.73 | CYP1A2 (0.39) | POLBNPC1RAB9A | |
| SCHEMBL31258087 | 0.72 | HTR6 (0.55) | HTTTSHRPOLBIDO1ALDH1A1 | |
| SCHEMBL1104768 | 0.72 | HTR6 (0.55) | HTTTSHRPOLBIDO1ALDH1A1 | |
| SCHEMBL3091129 | 0.70 | P2RX4 (0.48) | HTTPOLBALDH1A1TDP1LMNA |
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 |