Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL107630 | 1.00 | CA1 (0.39) | CA1CA2CA4KMT2ACYP19A1 | |
| SCHEMBL8165313 | 1.00 | CA1 (0.39) | CA1CA2CA4KMT2ACYP19A1 | |
| SCHEMBL16359987 | 1.00 | CA1 (0.39) | CA1CA2CA4KMT2ACYP19A1 | |
| SCHEMBL2690489 | 0.93 | CA1 (0.43) | CA1CA2CA4KMT2ACYP19A1 | |
| Cycloheptanone SCHEMBL15986210 | 0.88 | KMT2A (0.44) | CA1CA2CA4KMT2ACYP19A1 | |
| SCHEMBL5700793 | 0.86 | CA1 (0.37) | CA1CA2CA4KMT2ACYP19A1 | |
| SCHEMBL2691519 | 0.85 | — | — | |
| SCHEMBL1381228 | 0.76 | KDM4E (0.32) | KMT2ALMNAPOLBACHEMEN1 | |
| SCHEMBL3643910 | 0.76 | CA1 (0.39) | CA1CA2CA4KMT2ACYP19A1 | |
| SCHEMBL6783685 | 0.76 | CA1 (0.35) | CA1CA2CA4KMT2ACYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117303995-A | Method for preparing high-tension quaternary cycloalkane fuel by cyclic ketone or cyclic alcohol one-pot method and application of fuel | 西北工业大学重庆科创中心 | 2023-12-29 | — | — | CN | claimed |
| CN-117303995-A | Method for preparing high-tension quaternary cycloalkane fuel by cyclic ketone or cyclic alcohol one-pot method and application of fuel | 西北工业大学重庆科创中心 | 2023-12-29 | — | — | CN | disclosed |