Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Rimantadine. 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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.95 |
| ▸ | SLC47A1 | Q96FL8 | 2/20 | 0.95 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 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 | |
|---|---|---|---|---|
| Rimantadine SCHEMBL40906 | 1.00 | MAPT (1.00) | MAPTSLC22A2SLC47A1NPC1ALDH1A1 | |
| Rimantadine SCHEMBL28108817 | 1.00 | MAPT (1.00) | MAPTSLC22A2SLC47A1NPC1ALDH1A1 | |
| Rimantadine SCHEMBL29908943 | 0.97 | SLC22A2 (1.00) | MAPTSLC22A2SLC47A1NPC1ALDH1A1 | |
| Rimantadine SCHEMBL2982 | 0.97 | SLC22A2 (1.00) | MAPTSLC22A2SLC47A1NPC1ALDH1A1 | |
| Rimantadine SCHEMBL15532385 | 0.97 | SLC22A2 (1.00) | MAPTSLC22A2SLC47A1NPC1ALDH1A1 | |
| Rimantadine SCHEMBL20409367 | 0.97 | SLC22A2 (1.00) | MAPTSLC22A2SLC47A1NPC1ALDH1A1 | |
| Rimantadine SCHEMBL2981 | 0.97 | SLC22A2 (1.00) | MAPTSLC22A2SLC47A1NPC1ALDH1A1 | |
| Rimantadine SCHEMBL14973619 | 0.92 | SLC22A2 (0.90) | MAPTSLC22A2SLC47A1NPC1ALDH1A1 | |
| Rimantadine SCHEMBL3719331 | 0.88 | SLC22A2 (0.82) | MAPTSLC22A2SLC47A1NPC1ALDH1A1 | |
| Rimantadine SCHEMBL4667033 | 0.88 | SLC22A2 (0.82) | MAPTSLC22A2SLC47A1NPC1ALDH1A1 |
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-20090321255-A1 | Drug-meter: Multiwell membrane-based potentiometric sensor for high throughput tests of drugs | KOCHERGINSKY NIKOLAI | 2009-12-31 | — | — | US | disclosed |