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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL8949769 | 1.00 | TP53 (0.50) | TP53CA1CA2CA9FFAR3 | |
| Isobutane SCHEMBL1580573 | 0.95 | — | — | |
| Isobutane SCHEMBL43551 | 0.95 | CA1 (0.56) | TP53CA1CA2CA9FFAR3 | |
| Isobutane SCHEMBL13372605 | 0.95 | CA1 (0.56) | TP53CA1CA2CA9FFAR3 | |
| Isobutane SCHEMBL28410846 | 0.95 | CA1 (0.56) | TP53CA1CA2CA9FFAR3 | |
| Isobutane SCHEMBL28694060 | 0.95 | CA1 (0.56) | TP53CA1CA2CA9FFAR3 | |
| Isobutane SCHEMBL132611 | 0.95 | CA1 (0.56) | TP53CA1CA2CA9FFAR3 | |
| Isobutane SCHEMBL5453 | 0.95 | CA1 (0.56) | TP53CA1CA2CA9FFAR3 | |
| Isobutane SCHEMBL6337855 | 0.95 | CA1 (0.56) | TP53CA1CA2CA9FFAR3 | |
| Isobutane SCHEMBL28050909 | 0.95 | CA1 (0.56) | TP53CA1CA2CA9FFAR3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160151337-A1 | ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS | GRUENENTHAL GMBH (DE) | 2016-06-02 | — | — | US | disclosed |
| EP-1727800-A1 | SEMICARBAZIDE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GmbH (DE) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005082853-A1 | SEMICARBAZIDE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2005-09-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160151337-A1 | ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS | AADAC, PRRC2C, PRRC2A | TP53 1834/4885CA1 2203/4885CA2 2952/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.