Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.49 |
| ▸ | LTA4H | P09960 | 3/20 | 0.38 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | GSTA1 | P08263 | 1/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9502690 | 0.95 | ESR1 (0.44) | ESR1LTA4HNR5A1THRATHRB | |
| SCHEMBL9504380 | 0.93 | NR5A1 (0.43) | ESR1LTA4HNR5A1THRATHRB | |
| SCHEMBL9502646 | 0.93 | NR5A1 (0.43) | ESR1LTA4HNR5A1THRATHRB | |
| SCHEMBL9506544 | 0.93 | NR5A1 (0.43) | ESR1LTA4HNR5A1THRATHRB | |
| SCHEMBL10336389 | 0.93 | NR5A1 (0.43) | ESR1LTA4HNR5A1THRATHRB | |
| SCHEMBL9503380 | 0.93 | NR5A1 (0.43) | ESR1LTA4HNR5A1THRATHRB | |
| SCHEMBL9502553 | 0.93 | NR5A1 (0.43) | ESR1LTA4HNR5A1THRATHRB | |
| SCHEMBL9503306 | 0.89 | ESR1 (0.40) | ESR1LTA4H | |
| SCHEMBL10336320 | 0.84 | ESR1 (0.37) | ESR1LTA4H | |
| SCHEMBL9683149 | 0.82 | LTA4H (0.39) | ESR1LTA4HNR5A1THRATHRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0364548-B1 | OCTAFLUOROBIPHENYLS | MERCK PATENT GmbH (DE) | 1993-06-09 | — | — | EP | disclosed |