Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nilotinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 16/20 | 0.99 |
| ▸ | BCR known ✓ | P11274 | 8/20 | 0.99 |
| ▸ | KIT | P10721 | 11/20 | 0.99 |
| ▸ | LDLR | P01130 | 8/20 | 0.99 |
| ▸ | PCSK9 | Q8NBP7 | 8/20 | 0.99 |
| ▸ | PDGFRB | P09619 | 6/20 | 0.99 |
| ▸ | LCK | P06239 | 4/20 | 0.99 |
| ▸ | LYN | P07948 | 4/20 | 0.99 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.99 |
| ▸ | FLT3 | P36888 | 4/20 | 0.99 |
| ▸ | DDR2 | Q16832 | 4/20 | 0.99 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.99 |
| ▸ | SRC | P12931 | 2/20 | 0.99 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.99 |
| ▸ | CA12 | O43570 | 1/20 | 0.99 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.99 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.99 |
| ▸ | STK10 | O94804 | 1/20 | 0.99 |
| ▸ | CA1 | P00915 | 1/20 | 0.99 |
| ▸ | CA2 | P00918 | 1/20 | 0.99 |
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 | |
|---|---|---|---|---|
| Nilotinib SCHEMBL1565706 | 1.00 | ABL1 (0.99) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL31005052 | 1.00 | ABL1 (0.99) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL434496 | 1.00 | ABL1 (0.99) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL1459790 | 1.00 | ABL1 (0.99) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL235245 | 0.99 | ABL1 (0.97) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL18095566 | 0.99 | ABL1 (0.97) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL2223849 | 0.99 | ABL1 (0.97) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL1460791 | 0.99 | ABL1 (0.97) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL29392981 | 0.99 | ABL1 (0.97) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL28663798 | 0.99 | ABL1 (0.97) | ABL1KITBCRLDLRPCSK9 |
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-113788817-A | Nilotinib semi-hydrochloride monohydrate crystal form and preparation method thereof | 南京海润医药有限公司 | 2021-12-14 | — | — | CN | disclosed |