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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 0.35 |
| ▸ | GABRD | O14764 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.35 |
| ▸ | GABRE | P78334 | 2/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.35 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL3917413 | 0.88 | — | — | |
| Bicarbonate SCHEMBL29012214 | 0.88 | — | — | |
| Bicarbonate SCHEMBL27775306 | 0.88 | CA1 (0.50) | TP53CA1CA2CA9FFAR3 | |
| Bicarbonate SCHEMBL16673755 | 0.88 | CA1 (0.50) | TP53CA1CA2CA9FFAR3 | |
| Bicarbonate SCHEMBL194552 | 0.88 | — | — | |
| Isobutane SCHEMBL43551 | 0.83 | CA1 (0.56) | TP53CA1CA2CA9SLC7A5 | |
| Isobutane SCHEMBL6337855 | 0.83 | CA1 (0.56) | TP53CA1CA2CA9SLC7A5 | |
| Isobutane SCHEMBL5453 | 0.83 | CA1 (0.56) | TP53CA1CA2CA9SLC7A5 | |
| Isobutane SCHEMBL28694060 | 0.83 | CA1 (0.56) | TP53CA1CA2CA9SLC7A5 | |
| Isobutane SCHEMBL132611 | 0.83 | CA1 (0.56) | TP53CA1CA2CA9SLC7A5 |
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 |
|---|---|---|---|---|---|---|---|
| US-8637561-B2 | Linked diimidazole derivatives | ENANTA PHARMACEUTICALS, INC. (US) | 2014-01-28 | — | — | US | disclosed |
| WO-2010096462-A1 | LINKED DIIMIDAZOLE DERIVATIVES | ENANTA PHARMACEUTICALS, INC (US) | 2010-08-26 | — | — | WO | disclosed |