Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | AOC2 | O75106 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 5/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5366367 | 0.78 | HTR7 (0.37) | NPC1RAB9AALDH1A1CYP1A2MAPT | |
| SCHEMBL29690513 | 0.76 | TSHR (0.45) | TSHRSMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL2737142 | 0.76 | TSHR (0.45) | TSHRSMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL18532071 | 0.74 | RAB9A (0.38) | TSHRSMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL18676741 | 0.74 | TSHR (0.44) | TSHRSMN1; SMN2MEN1NPC1KMT2A | |
| SCHEMBL16844646 | 0.74 | PYCR1 (0.34) | RAB9AALDH1A1TDP1 | |
| SCHEMBL28962643 | 0.73 | TSHR (0.46) | TSHRSMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL11350300 | 0.73 | TDP1 (0.39) | TSHRKMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL14547573 | 0.72 | TSHR (0.42) | TSHRSMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL18405594 | 0.72 | CA4 (0.39) | TSHRMEN1KMT2AALDH1A1CYP1A2 |
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-116789598-A | 3-alkenyl isoquinoline 2-oxide compound and preparation method thereof | 广州大学 | 2023-09-22 | — | — | CN | disclosed |