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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.50 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL19086689 | 0.83 | HCAR2 (0.50) | HCAR2BCAT2ALDH1A1KDM4ELMNA | |
| Ammonia Solution, Strong SCHEMBL27692480 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27433902 | 0.74 | — | — | |
| SCHEMBL30863734 | 0.74 | — | — | |
| SCHEMBL28557367 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL30870498 | 0.74 | — | — | |
| Bromide SCHEMBL31196810 | 0.74 | — | — | |
| Pyrimidine SCHEMBL27962956 | 0.73 | HCAR2 (0.39) | HCAR2ALDH1A1TDP1LMNAHCAR3 | |
| SCHEMBL2326360 | 0.69 | HCAR2 (0.38) | HCAR2ATM | |
| SCHEMBL27541628 | 0.69 | HCAR2 (0.39) | HCAR2ERN1 |
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-113302188-A | Quinoline compounds as TAM and MET kinase inhibitors | 阵列生物制药公司 | 2021-08-24 | — | — | CN | disclosed |