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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | SCD | O00767 | 3/20 | 0.40 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL510508 | 0.91 | RAB9A (0.50) | RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1 | |
| Isobutane SCHEMBL28453461 | 0.88 | CYP11B1 (0.40) | RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL509405 | 0.81 | ALDH1A1 (0.45) | RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL511781 | 0.80 | RAB9A (0.58) | RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1 | |
| Isobutane SCHEMBL28457027 | 0.80 | RAB9A (0.46) | RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL23788325 | 0.78 | ALDH1A1 (0.41) | RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL30025417 | 0.78 | L3MBTL1 (0.43) | RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL1106887 | 0.77 | ALDH1A1 (0.45) | RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1 | |
| Bicarbonate SCHEMBL3468506 | 0.77 | ALDH1A1 (0.39) | RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL30026398 | 0.77 | RAB9A (0.47) | RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1 |
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-8513287-B2 | Heterocyclic ring and phosphonoxymethyl group substituted pyridine derivatives and antifungal agent containing same | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2013-08-20 | — | — | US | disclosed |
| US-20090233883-A1 | HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME | EISAI R&D MANAGEMENT CO. LTD. (JP) | 2009-09-17 | — | — | US | 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-20090233883-A1 | HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME | MTOR, ERG28, MTMR1 | RAB9A 2000/4885SMN1; SMN2 4214/4885ALDH1A1 3058/4885 |
“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.