Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nevirapine. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | POLB | P06746 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 1/20 | 1.00 |
| ▸ | ADORA2A | P29274 | 1/20 | 1.00 |
| ▸ | ADORA1 | P30542 | 1/20 | 1.00 |
| ▸ | PDE3A | Q14432 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| Nevirapine SCHEMBL3318 | 1.00 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL30267890 | 1.00 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL29393780 | 1.00 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL3232525 | 1.00 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL6562884 | 0.99 | ALDH1A1 (0.98) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL5175341 | 0.99 | ALDH1A1 (0.98) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL1923903 | 0.99 | ALDH1A1 (0.98) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL8151939 | 0.99 | ALDH1A1 (0.98) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL9704195 | 0.95 | ALDH1A1 (0.91) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL28679264 | 0.94 | ALDH1A1 (0.89) | ALDH1A1LMNAPOLBADORA3MAPK1 |
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-20220160710-A1 | COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2022-05-26 | — | — | US | disclosed |