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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 5/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6672174 | 0.88 | MAOB (0.51) | NPC1RAB9APKMSMN1; SMN2S1PR1 | |
| Hydrochloric Acid SCHEMBL6794609 | 0.88 | MAOB (0.51) | NPC1RAB9APKMSMN1; SMN2S1PR1 | |
| SCHEMBL10054644 | 0.80 | SMN1; SMN2 (0.50) | NPC1RAB9ASMN1; SMN2MAOBHTT | |
| SCHEMBL8363638 | 0.80 | SMN1; SMN2 (0.50) | NPC1RAB9ASMN1; SMN2MAOBHTT | |
| Hydrochloric Acid SCHEMBL6786483 | 0.78 | MAOB (0.50) | NPC1RAB9ASMN1; SMN2MAOBHTT | |
| Hydrochloric Acid SCHEMBL6648935 | 0.78 | MAOB (0.50) | NPC1RAB9ASMN1; SMN2MAOBHTT | |
| SCHEMBL8363689 | 0.73 | LOXL2 (0.47) | NPC1RAB9APKMSMN1; SMN2HTT | |
| SCHEMBL6650316 | 0.72 | SMN1; SMN2 (0.44) | NPC1RAB9APKMSMN1; SMN2PPARG | |
| SCHEMBL8362518 | 0.72 | LOXL2 (0.46) | NPC1RAB9ASMN1; SMN2HTTLOXL2 | |
| SCHEMBL7062282 | 0.71 | SMN1; SMN2 (0.39) | NPC1RAB9APKMSMN1; SMN2PPARG |
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 |
|---|---|---|---|---|---|---|---|
| US-20040082585-A1 | Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION | 2004-04-29 | — | — | 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-20040082585-A1 | Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade | TFPI, F2, PLG | NPC1 2315/4885RAB9A 3037/4885PKM 1757/4885 |
“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.