Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.53 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.53 |
| ▸ | ITGAL | P20701 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ECE1 | P42892 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | F7 | P08709 | 1/20 | 0.49 |
| ▸ | F3 | P13726 | 1/20 | 0.49 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.49 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.49 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.49 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.49 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30037941 | 1.00 | CA2 (0.54) | CA2CA1ITGB2ICAM1ITGAL | |
| SCHEMBL28830879 | 1.00 | CA2 (0.54) | CA2CA1ITGB2ICAM1ITGAL | |
| SCHEMBL14660540 | 0.89 | CASP3 (0.60) | CA2CA1LMNAECE1THRB | |
| SCHEMBL27739096 | 0.89 | CASP3 (0.60) | CA2CA1LMNAECE1THRB | |
| SCHEMBL30038032 | 0.89 | CASP3 (0.60) | CA2CA1LMNAECE1THRB | |
| SCHEMBL30036662 | 0.86 | CA2 (0.56) | CA2CA1LMNAECE1THRB | |
| SCHEMBL2793049 | 0.84 | THRB (0.58) | CA2CA1LMNAECE1THRB | |
| SCHEMBL2794612 | 0.84 | THRB (0.58) | CA2CA1LMNAECE1THRB | |
| SCHEMBL2797215 | 0.84 | THRB (0.58) | CA2CA1LMNAECE1THRB | |
| SCHEMBL5191250 | 0.84 | CA2 (0.68) | CA2CA1ITGB2ICAM1ITGAL |
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-114957385-A | Dipeptide compound containing beta-lactam ring, preparation method and application thereof | 浙大城市学院 | 2022-08-30 | — | — | CN | disclosed |