Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | TYR | P14679 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 3/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9505791 | 0.94 | ESR1 (0.40) | ESR1HPGDNPC1MAPK1HTT | |
| SCHEMBL10336403 | 0.92 | ALOX5 (0.40) | ESR1HTTKDM4ETYRALDH1A1 | |
| SCHEMBL9504367 | 0.92 | ALOX5 (0.40) | ESR1HTTKDM4ETYRALDH1A1 | |
| SCHEMBL9506578 | 0.92 | ALOX5 (0.40) | ESR1HTTKDM4ETYRALDH1A1 | |
| SCHEMBL9502594 | 0.92 | ALOX5 (0.40) | ESR1HTTKDM4ETYRALDH1A1 | |
| SCHEMBL9502717 | 0.87 | ESR1 (0.35) | ESR1 | |
| SCHEMBL9503180 | 0.87 | NPC1 (0.35) | HPGDNPC1MAPK1HTTRAB9A | |
| SCHEMBL5592696 | 0.82 | HPGD (0.45) | ESR1HPGDNPC1MAPK1HTT | |
| SCHEMBL10336447 | 0.82 | ESR1 (0.33) | ESR1 | |
| SCHEMBL5589084 | 0.81 | HPGD (0.41) | ESR1HPGDNPC1MAPK1HTT |
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-0364548-B1 | OCTAFLUOROBIPHENYLS | MERCK PATENT GmbH (DE) | 1993-06-09 | — | — | EP | disclosed |
| EP-0364548-A1 | OCTAFLUOROBIPHENYLS. | MERCK PATENT GMBH (DE) | 1990-04-25 | — | — | EP | disclosed |
| WO-1989009203-A1 | OCTAFLUOROBIPHENYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-10-05 | — | — | WO | disclosed |