Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14691383 | 0.84 | TDP1 (0.53) | ALDH1A1KDM4EHPGDNR1H4TDP1 | |
| SCHEMBL12244969 | 0.84 | MAPT (0.56) | CFTREGFRALDH1A1MAPTKDM4E | |
| SCHEMBL8379806 | 0.83 | TDP1 (0.41) | EGFRALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL25265218 | 0.83 | TDP1 (0.36) | EGFRALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL7801806 | 0.79 | KIF11 (0.39) | CFTREGFRALDH1A1MAPTKDM4E | |
| SCHEMBL1547094 | 0.79 | TDP1 (0.59) | CFTREGFRALDH1A1MAPTKDM4E | |
| SCHEMBL1547035 | 0.79 | NR1H4 (0.44) | CFTREGFRALDH1A1MAPTKDM4E | |
| SCHEMBL23645185 | 0.79 | CFTR (0.51) | CFTREGFRALDH1A1MAPTKDM4E | |
| SCHEMBL8680470 | 0.78 | KIF11 (0.41) | CFTREGFRALDH1A1MAPTKDM4E | |
| SCHEMBL8379282 | 0.77 | NR1H4 (0.39) | ALDH1A1MAPTLMNAGAANR1H4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686478-A | Endothelin antagonists | MERCK & CO. INC. (US) | 1997-11-11 | — | — | US | disclosed |
| WO-1995003295-A1 | ENDOTHELIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-02-02 | — | — | WO | disclosed |