Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Leflunomide. 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 | |
|---|---|---|---|---|
| ▸ | DHODH known ✓ | Q02127 | 9/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | GMNN | O75496 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | HTR1A | P08908 | 1/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | PIM1 | P11309 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.61 |
| ▸ | HTR2A | P28223 | 1/20 | 0.61 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.61 |
| ▸ | CCKBR | P32239 | 1/20 | 0.61 |
| ▸ | MC4R | P32245 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Teriflunomide SCHEMBL21380 | 0.90 | DHODH (0.72) | DHODHNPC1RAB9AHTTGMNN | |
| SCHEMBL24047119 | 0.83 | HTT (0.44) | DHODHNPC1RAB9AHTTGMNN | |
| SCHEMBL30107111 | 0.83 | HTT (0.44) | DHODHNPC1RAB9AHTTGMNN | |
| Leflunomide SCHEMBL29271960 | 0.79 | RAB9A (0.92) | DHODHNPC1RAB9AHTTGMNN | |
| SCHEMBL24047619 | 0.79 | DHODH (0.64) | DHODHNPC1RAB9AHTTGMNN | |
| SCHEMBL19034 | 0.78 | SMN1; SMN2 (0.61) | DHODHNPC1RAB9AHTTGMNN | |
| SCHEMBL29625262 | 0.78 | SMN1; SMN2 (0.61) | DHODHNPC1RAB9AHTTGMNN | |
| SCHEMBL5914884 | 0.78 | DHODH (0.65) | DHODHRAB9AHTTLMNACYP1A2 | |
| SCHEMBL5914882 | 0.78 | DHODH (0.65) | DHODHRAB9AHTTLMNACYP1A2 | |
| SCHEMBL905302 | 0.78 | DHODH (0.65) | DHODHRAB9AHTTLMNACYP1A2 |
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-20020006381-A1 | Method for finding nucleotide synthesis inhibitors having fewer side effects | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2002-01-17 | — | — | US | disclosed |