Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8591338 | 0.83 | TRPA1 (0.37) | CYP3A4 | |
| SCHEMBL3974623 | 0.82 | — | — | |
| SCHEMBL180952 | 0.80 | TSHR (0.45) | TRPV1CYP3A4TSHRNOS3NOS1 | |
| SCHEMBL7728817 | 0.77 | TRPA1 (0.32) | CYP3A4 | |
| SCHEMBL7357034 | 0.76 | KIF11 (0.45) | SERPINE1CYP3A4TSHRNOS3NOS1 | |
| SCHEMBL10968174 | 0.71 | — | — | |
| SCHEMBL24246067 | 0.70 | MAPK1 (0.41) | CYP3A4TSHRNOS3NOS1NOS2 | |
| SCHEMBL10546748 | 0.70 | CYP3A4 (0.41) | CYP3A4TSHREPHX2 | |
| SCHEMBL10967071 | 0.70 | — | — | |
| SCHEMBL9859153 | 0.69 | CYP3A4 (0.44) | CYP3A4TSHRNOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |