Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Nifurtimox. 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 | |
|---|---|---|---|---|
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 7/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.83 |
| ▸ | TP53 | P04637 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Nifurtimox SCHEMBL60839 | 0.91 | LMNA (1.00) | LMNAALDH1A1TP53MAPTCYP1A2 | |
| Nifurtimox SCHEMBL1650162 | 0.91 | LMNA (1.00) | LMNAALDH1A1TP53MAPTCYP1A2 | |
| Nifurtimox SCHEMBL60840 | 0.91 | LMNA (1.00) | LMNAALDH1A1TP53MAPTCYP1A2 | |
| Nifurtimox SCHEMBL9910611 | 0.91 | LMNA (1.00) | LMNAALDH1A1TP53MAPTCYP1A2 | |
| Nifurtimox SCHEMBL2326559 | 0.86 | LMNA (0.70) | LMNAALDH1A1TP53MAPTCYP1A2 | |
| Nifurtimox SCHEMBL4727154 | 0.84 | LMNA (0.85) | LMNAALDH1A1TP53MAPTCYP1A2 | |
| SCHEMBL23003603 | 0.82 | LMNA (0.78) | LMNAALDH1A1TP53MAPTCYP1A2 | |
| SCHEMBL23003602 | 0.82 | LMNA (0.78) | LMNAALDH1A1TP53MAPTCYP1A2 | |
| Nifurtimox SCHEMBL28086189 | 0.77 | LMNA (0.60) | LMNAALDH1A1TP53MAPTCYP1A2 | |
| SCHEMBL12609083 | 0.73 | LMNA (0.67) | LMNAALDH1A1TP53MAPTCYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3362071-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | Grünenthal GmbH (DE) | 2018-08-22 | — | — | EP | disclosed |
| WO-2017049294-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| WO-2011097269-A9 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2012-12-27 | — | — | WO | disclosed |
| EP-2531200-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | Thar Pharmaceuticals, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011097269-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2011-08-11 | — | — | WO | disclosed |