Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TET3 | O43151 | 1/20 | 0.39 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.39 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.39 |
| ▸ | CXXC4 | Q9H2H0 | 1/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CCR2 | P41597 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28890126 | 0.78 | AKR1C1 (0.46) | ALOX15TSHRHSD11B1CES2CES1 | |
| SCHEMBL28404526 | 0.77 | CES2 (0.41) | ALOX15CES2CES1KMT2ACA1 | |
| SCHEMBL29031878 | 0.77 | ALDH1A1 (0.44) | HSD11B1CES2CES1SRD5A2KMT2A | |
| SCHEMBL29031873 | 0.72 | CES2 (0.47) | TSHRCES2CES1SRD5A2 | |
| SCHEMBL28472946 | 0.72 | CA1 (0.50) | HSD11B1CES2CES1KMT2ATET3 | |
| SCHEMBL75310 | 0.71 | TET3 (0.61) | HSD11B1KMT2ATET3FBXL19CXXC5 | |
| 1,4-Dichlorobenzene SCHEMBL28270431 | 0.71 | TSHR (0.67) | ALOX15TSHRCES2CES1SRD5A2 | |
| 1,4-Dichlorobenzene SCHEMBL28270432 | 0.71 | TSHR (0.67) | ALOX15TSHRCES2CES1SRD5A2 | |
| SCHEMBL503762 | 0.68 | AKR1C1 (0.68) | TSHRHSD11B1KMT2ATET3FBXL19 | |
| SCHEMBL11451364 | 0.68 | KMT2A (0.46) | ALOX15TSHRHSD11B1KMT2ATET3 |
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-116396279-B | Gamma-butenolide derivative and preparation method and application thereof | 中山大学 | 2024-04-26 | — | — | CN | disclosed |
| CN-116396279-A | Gamma-butenolide derivative and preparation method and application thereof | 中山大学 | 2023-07-07 | — | — | CN | disclosed |