Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isobutane. 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 | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 2/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | FABP3 | P05413 | 1/20 | 0.30 |
| ▸ | FABP4 | P15090 | 1/20 | 0.30 |
| ▸ | FABP5 | Q01469 | 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 | |
|---|---|---|---|---|
| SCHEMBL15272484 | 0.89 | EGFR (0.35) | LIPEEGFR | |
| Isobutane SCHEMBL29129309 | 0.77 | KMO (0.36) | KMOFABP3FABP4FABP5 | |
| Isobutane SCHEMBL29129383 | 0.77 | KMO (0.36) | KMOFABP3FABP4FABP5 | |
| Bicarbonate SCHEMBL29129371 | 0.71 | ICAM1 (0.36) | KMOMCL1 | |
| SCHEMBL26260588 | 0.70 | EGFR (0.38) | LIPEEGFR | |
| SCHEMBL190392 | 0.70 | LPL (0.40) | EGFR | |
| SCHEMBL29294279 | 0.68 | AHR (0.40) | LIPEEGFRMCL1 | |
| SCHEMBL2111930 | 0.66 | TSHR (0.57) | LIPE | |
| SCHEMBL23176509 | 0.65 | MAOB (0.40) | LIPE | |
| SCHEMBL16166586 | 0.65 | CA12 (0.40) | LIPE |
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-117279896-A | Amino substituted pyrido ring compounds, preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2023-12-22 | — | — | CN | disclosed |