Known targets — ChEMBL curated mechanism
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The experimentally established mechanism targets of 5-(N-Methyl-N-Isobutyl)Amiloride. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | GMNN | O75496 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | THPO | P40225 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 5-(N-Methyl-N-Isobutyl)Amiloride SCHEMBL2432777 | 0.87 | CYP1A2 (0.64) | TSHRCYP1A2SLC9A1TP53MEN1 | |
| Amiloride SCHEMBL17965605 | 0.81 | TSHR (0.49) | TSHRCYP1A2TP53GMNNCYP2D6 | |
| SCHEMBL12288492 | 0.74 | HDAC6 (0.76) | TSHRCYP1A2SLC9A1TP53MEN1 | |
| Hydrochloric Acid SCHEMBL2435537 | 0.73 | TP53 (0.76) | TSHRCYP1A2SLC9A1TP53MEN1 | |
| SCHEMBL12288501 | 0.73 | TP53 (0.52) | TSHRCYP1A2SLC9A1TP53MEN1 | |
| SCHEMBL12288494 | 0.73 | TP53 (0.56) | TSHRCYP1A2SLC9A1TP53MEN1 | |
| SCHEMBL9927473 | 0.72 | CYP1A2 (0.58) | TSHRCYP1A2SLC9A1TP53MEN1 | |
| SCHEMBL2432734 | 0.72 | CYP1A2 (0.70) | TSHRCYP1A2SLC9A1TP53MEN1 | |
| SCHEMBL12288544 | 0.72 | HDAC6 (0.53) | TSHRCYP1A2SLC9A1TP53MEN1 | |
| Hydrochloric Acid SCHEMBL2431358 | 0.72 | TP53 (0.52) | TSHRCYP1A2SLC9A1TP53MEN1 |
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-20110217265-A1 | Screening for Inhibitors of HCV Amphipathic Helix (AH) Function | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-09-08 | — | — | US | disclosed |
| WO-2010039195-A2 | SCREENING FOR INHIBITORS OF HCV AMPHIPATHIC HELIX (AH) FUNCTION | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2010-04-08 | — | — | 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-20110217265-A1 | Screening for Inhibitors of HCV Amphipathic Helix (AH) Function | NSF, HAVCR2, ABHD16A | TSHR 3280/4885CYP1A2 3437/4885SLC9A1 3272/4885 |
“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.