Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Firibastat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPEP known ✓ | Q07075 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | THPO | P40225 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9295797 | 0.77 | ENPEP (0.65) | ENPEPTSHRTHPOGMNNLMNA | |
| SCHEMBL29057328 | 0.76 | ENPEP (0.50) | ENPEPTSHRTHPOGMNNLMNA | |
| SCHEMBL28378901 | 0.76 | ENPEP (0.63) | ENPEPTSHRTHPOGMNNLMNA | |
| Firibastat SCHEMBL1694944 | 0.76 | S1PR2 (0.39) | ENPEPTSHRTHPOGMNNLMNA | |
| Firibastat SCHEMBL1286629 | 0.76 | S1PR2 (0.39) | ENPEPTSHRTHPOGMNNLMNA | |
| Firibastat SCHEMBL17240388 | 0.76 | S1PR2 (0.39) | ENPEPTSHRTHPOGMNNLMNA | |
| Firibastat SCHEMBL4606353 | 0.74 | S1PR2 (0.38) | ENPEPTSHRTHPOGMNNLMNA | |
| Firibastat SCHEMBL1290915 | 0.74 | S1PR2 (0.38) | ENPEPTSHRTHPOGMNNLMNA | |
| SCHEMBL29066147 | 0.74 | ENPEP (0.60) | ENPEPTSHRTHPOGMNNLMNA | |
| SCHEMBL5148886 | 0.70 | ENPEP (0.56) | ENPEPTSHRTHPOGMNNLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1525188-B1 | NOVEL DERIVATIVES OF 4,4'-DITHIOBIS-(3-AMINOBUTANE-1-SULPHONATES) AND COMPOSITIONS CONTAINING SAME | INST NAT SANTE RECH MED (FR) | 2008-07-09 | — | — | EP | claimed |
| US-7235687-B2 | Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfphonates) and compositions containing same | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2007-06-26 | — | — | US | claimed |
| EP-2793878-B1 | COMBINATION OF (3S,3S') 4,4'-DISULFANEDIYLBIS(3-AMINOBUTANE 1-SULFONIC ACID) AND A SECOND ANTIHYPERTENSIVE AGENT | QUANTUM GENOMICS (FR) | 2017-02-01 | — | — | EP | disclosed |