Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Teriflunomide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH known ✓ | Q02127 | 9/20 | 0.97 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 SCHEMBL8466730 | 1.00 | DHODH (0.97) | DHODHEPHX2TRPV1NPC1RAB9A | |
| Teriflunomide SCHEMBL22661 | 0.99 | DHODH (1.00) | DHODHEPHX2TRPV1NPC1RAB9A | |
| Teriflunomide SCHEMBL2760666 | 0.99 | DHODH (1.00) | DHODHEPHX2TRPV1NPC1RAB9A | |
| Teriflunomide SCHEMBL993119 | 0.99 | DHODH (1.00) | DHODHEPHX2TRPV1NPC1RAB9A | |
| Teriflunomide SCHEMBL20214092 | 0.99 | DHODH (1.00) | DHODHEPHX2TRPV1NPC1RAB9A | |
| Teriflunomide SCHEMBL991312 | 0.97 | DHODH (0.97) | DHODHEPHX2TRPV1NPC1RAB9A | |
| SCHEMBL9079302 | 0.91 | DHODH (0.85) | DHODHEPHX2TRPV1 | |
| SCHEMBL8808801 | 0.91 | DHODH (0.85) | DHODHEPHX2TRPV1 | |
| SCHEMBL12312432 | 0.89 | DHODH (0.82) | DHODHALDH1A1MEN1CYP1A2CYP3A4 | |
| SCHEMBL8404982 | 0.87 | DHODH (0.79) | DHODHEPHX2TRPV1NPC1RAB9A |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120171490-A1 | NOVEL POLYMORPHIC FORM OF TERIFLUNOMIDE SALTS | ALEMBIC PHARMACEUTICALS LIMITED (IN) | 2012-07-05 | — | — | US | claimed |
| EP-2451773-A2 | NOVEL POLYMORPHIC FORM OF TERIFLUNOMIDE SALTS | Alembic Pharmaceuticals Limited (IN) | 2012-05-16 | — | — | EP | claimed |
| WO-2011004282-A2 | NOVEL POLYMORPHIC FORM OF TERIFLUNOMIDE SALTS | ALEMBIC LIMITED (IN) | 2011-01-13 | — | — | WO | claimed |
| CN-101143834-B | Polymorphism for N-(4-trifluoromethylphenyl)-2-cyano-3-hydroxycrotonamide sodium salt and preparation method thereof | XINKAI MEDICAL CHEMICAL INTERMEDIATE SHANGHAI CO LTD | 2010-09-08 | — | — | CN | claimed |
| CN-101143834-A | Polymorphism for N-(4-trifluoromethylphenyl)-2-cyano-3-hydroxycrotonamide sodium salt and preparation method thereof | XINKAI MEDICAL CHEMICAL INTERM (CN) | 2008-03-19 | — | — | CN | claimed |
| US-20120171490-A1 | NOVEL POLYMORPHIC FORM OF TERIFLUNOMIDE SALTS | ALEMBIC PHARMACEUTICALS LIMITED (IN) | 2012-07-05 | — | — | US | disclosed |
| US-20120171490-A1 | NOVEL POLYMORPHIC FORM OF TERIFLUNOMIDE SALTS | ALEMBIC PHARMACEUTICALS LIMITED (IN) | 2012-07-05 | — | — | US | disclosed |
| EP-2451773-A2 | NOVEL POLYMORPHIC FORM OF TERIFLUNOMIDE SALTS | Alembic Pharmaceuticals Limited (IN) | 2012-05-16 | — | — | EP | disclosed |
| EP-2451773-A2 | NOVEL POLYMORPHIC FORM OF TERIFLUNOMIDE SALTS | Alembic Pharmaceuticals Limited (IN) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011004282-A4 | NOVEL POLYMORPHIC FORM OF TERIFLUNOMIDE SALTS | ALEMBIC PHARMACEUTICALS LIMITED (IN) | 2011-10-27 | — | — | WO | disclosed |
| WO-2011004282-A3 | NOVEL POLYMORPHIC FORM OF TERIFLUNOMIDE SALTS | ALEMBIC PHARMACEUTICALS LIMITED (IN) | 2011-08-25 | — | — | WO | disclosed |
| WO-2011004282-A2 | NOVEL POLYMORPHIC FORM OF TERIFLUNOMIDE SALTS | ALEMBIC LIMITED (IN) | 2011-01-13 | — | — | WO | disclosed |
| WO-2011004282-A2 | NOVEL POLYMORPHIC FORM OF TERIFLUNOMIDE SALTS | ALEMBIC LIMITED (IN) | 2011-01-13 | — | — | WO | disclosed |
| CN-101143834-B | Polymorphism for N-(4-trifluoromethylphenyl)-2-cyano-3-hydroxycrotonamide sodium salt and preparation method thereof | XINKAI MEDICAL CHEMICAL INTERMEDIATE SHANGHAI CO LTD | 2010-09-08 | — | — | CN | disclosed |
| CN-101143834-B | Polymorphism for N-(4-trifluoromethylphenyl)-2-cyano-3-hydroxycrotonamide sodium salt and preparation method thereof | XINKAI MEDICAL CHEMICAL INTERMEDIATE SHANGHAI CO LTD | 2010-09-08 | — | — | CN | disclosed |
| CN-101143834-A | Polymorphism for N-(4-trifluoromethylphenyl)-2-cyano-3-hydroxycrotonamide sodium salt and preparation method thereof | XINKAI MEDICAL CHEMICAL INTERM (CN) | 2008-03-19 | — | — | CN | disclosed |
| CN-101143834-A | Polymorphism for N-(4-trifluoromethylphenyl)-2-cyano-3-hydroxycrotonamide sodium salt and preparation method thereof | XINKAI MEDICAL CHEMICAL INTERM (CN) | 2008-03-19 | — | — | CN | disclosed |
| US-5981536-A | INHIBITING THE DEPHOSPHORYLATION OF COFILIN AND THUS HAVING MODULATING INFLUENCE ON APOPTOSIS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-11-09 | — | — | US | disclosed |
| US-5856330-A | MODULATION OF APOPTOSIS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-01-05 | — | — | US | disclosed |