Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isoleucine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 11/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 4/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 4/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.31 |
| ▸ | FAP | Q12884 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Isoleucine SCHEMBL25386165 | 0.96 | NOS2 (0.35) | RENDPP4NOS2NOS3NOS1 | |
| Isoleucine SCHEMBL10428546 | 0.96 | NOS2 (0.35) | RENDPP4NOS2NOS3NOS1 | |
| Isoleucine SCHEMBL10428545 | 0.96 | NOS2 (0.35) | RENDPP4NOS2NOS3NOS1 | |
| Asparagine SCHEMBL28801799 | 0.93 | NOS2 (0.33) | NOS2NOS3NOS1DPP7 | |
| Asparagine SCHEMBL3864508 | 0.93 | NOS2 (0.33) | NOS2NOS3NOS1DPP7 | |
| Isoleucine SCHEMBL4405367 | 0.91 | DPP4 (0.37) | DPP4NOS2NOS3NOS1DPP8 | |
| Isoleucine SCHEMBL27660748 | 0.91 | DPP4 (0.37) | DPP4NOS2NOS3NOS1DPP8 | |
| Asparagine SCHEMBL3442870 | 0.90 | SLC7A5 (0.35) | NOS2NOS3NOS1 | |
| Asparagine SCHEMBL28801819 | 0.89 | CD274 (0.33) | NOS2NOS3NOS1 | |
| Leucine SCHEMBL28801806 | 0.89 | SLC7A5 (0.41) | RENDPP4NOS2NOS3NOS1 |
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-114853848-B | Polypeptide compound and application thereof in preparation of medicines for treating liver fibrosis diseases | 陕西慧康生物科技有限责任公司 | 2023-10-24 | — | — | CN | disclosed |
| CN-114853848-A | Polypeptide compound and application thereof in preparing medicament for treating hepatic fibrosis diseases | 陕西慧康生物科技有限责任公司 | 2022-08-05 | — | — | CN | disclosed |