Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 1/20 | 0.98 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Fandosentan SCHEMBL795805 | 0.99 | EDNRA (1.00) | EDNRAAKR1C3AKR1C2LMNAFABP4 | |
| Fandosentan SCHEMBL29388301 | 0.99 | EDNRA (1.00) | EDNRAAKR1C3AKR1C2LMNAFABP4 | |
| Fandosentan SCHEMBL7547479 | 0.98 | EDNRA (0.98) | EDNRAAKR1C3AKR1C2LMNAFABP4 | |
| Fandosentan SCHEMBL6541919 | 0.98 | EDNRA (0.98) | EDNRAAKR1C3AKR1C2LMNAFABP4 | |
| SCHEMBL7985075 | 0.91 | EDNRA (0.82) | EDNRAAKR1C3AKR1C2LMNAELANE | |
| Fandosentan SCHEMBL29566018 | 0.91 | EDNRA (0.85) | EDNRAAKR1C3AKR1C2LMNAFABP4 | |
| Fandosentan SCHEMBL6541921 | 0.91 | EDNRA (0.85) | EDNRAAKR1C3AKR1C2LMNAFABP4 | |
| Fandosentan SCHEMBL7947761 | 0.91 | EDNRA (0.85) | EDNRAAKR1C3AKR1C2LMNAFABP4 | |
| SCHEMBL6542463 | 0.90 | EDNRA (0.83) | EDNRAAKR1C3AKR1C2LMNAELANE | |
| SCHEMBL6541350 | 0.88 | EDNRA (0.79) | EDNRALMNAFABP4ALDH1A1MAPT |
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-6265399-B1 | ALKYLATION; CYCLIZATION | WARNER-LAMBERT COMPANY | 2001-07-24 | — | — | US | claimed |