Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9282381 | 0.85 | CA1 (0.44) | ATMCA1CA2CA12CA4 | |
| SCHEMBL29138553 | 0.80 | CA1 (0.43) | ATMCA1CA2CA12CA4 | |
| SCHEMBL23886282 | 0.78 | CA1 (0.44) | ATMCA1CA2CA12CA4 | |
| SCHEMBL21556811 | 0.78 | CA1 (0.44) | ATMCA1CA2CA12CA4 | |
| SCHEMBL29138515 | 0.77 | PTGDR2 (0.39) | TSHRNR3C1GAALMNAMEN1 | |
| SCHEMBL30669694 | 0.77 | PTGDR2 (0.39) | TSHRNR3C1GAALMNAMEN1 | |
| Hydrochloric Acid SCHEMBL29681943 | 0.76 | CA1 (0.43) | ATMCA1CA2CA12CA4 | |
| Hydrochloric Acid SCHEMBL9275355 | 0.76 | CA1 (0.43) | ATMCA1CA2CA12CA4 | |
| SCHEMBL30039006 | 0.76 | SMN1; SMN2 (0.49) | ATMCA1CA2CA12CA7 | |
| SCHEMBL9886692 | 0.75 | ATM (0.42) | ATMCA1CA2CA12CA4 |
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-117069720-A | 5-HT 2A Receptor agonist, preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-11-17 | — | — | CN | disclosed |