Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 10/20 | 0.49 |
| ▸ | NQO2 | P16083 | 6/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 2/20 | 0.39 |
| ▸ | RARG | P13631 | 2/20 | 0.39 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | SLC9A1 | P19634 | 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 | |
|---|---|---|---|---|
| SCHEMBL4602278 | 0.86 | MAPT (0.59) | PTGS1NQO2PTGS2ESR1ESR2 | |
| SCHEMBL18790028 | 0.83 | ESR1 (0.68) | PTGS1NQO2PTGS2ESR1ESR2 | |
| SCHEMBL6546605 | 0.83 | ESR1 (0.68) | PTGS1NQO2PTGS2ESR1ESR2 | |
| SCHEMBL6546795 | 0.81 | TP53 (0.47) | PTGS1NQO2PTGS2ESR1ESR2 | |
| SCHEMBL7217583 | 0.80 | CYP2A6 (0.47) | PTGS1NQO2PTGS2ESR1ESR2 | |
| SCHEMBL7217591 | 0.80 | CYP2A6 (0.47) | PTGS1NQO2PTGS2ESR1ESR2 | |
| SCHEMBL6547576 | 0.78 | ESR1 (0.55) | PTGS1NQO2PTGS2ESR1ESR2 | |
| SCHEMBL7803180 | 0.76 | ESR1 (0.64) | PTGS1NQO2PTGS2ESR1ESR2 | |
| SCHEMBL23332030 | 0.74 | ESR1 (0.52) | PTGS1NQO2PTGS2ESR1ESR2 | |
| SCHEMBL6546772 | 0.74 | NFE2L2 (0.46) | PTGS1PTGS2ALOX5NPC1RAB9A |
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-20230241597-A1 | PLATFORM FOR THE RECOVERY OF TRANSITION METAL CATALYSTS | TEXAS TECH UNIVERSITY SYSTEM | 2023-08-03 | — | — | US | disclosed |