Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | BAX | Q07812 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL242048 | 0.91 | LTA4H (0.50) | LTA4HTSHRCYP3A4NR1H2BAX | |
| Diphenylether SCHEMBL28412262 | 0.84 | LTA4H (0.46) | LTA4HTSHRCES2CES1CYP3A4 | |
| SCHEMBL4551613 | 0.83 | CYP3A4 (0.54) | LTA4HTSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL4544188 | 0.83 | CYP3A4 (0.54) | LTA4HTSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL50333 | 0.83 | CYP3A4 (0.54) | LTA4HTSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL93320 | 0.81 | CYP3A4 (0.56) | TSHRCYP3A4MAPK1TDP1CA1 | |
| SCHEMBL7136291 | 0.80 | FURIN (0.53) | TSHRCYP3A4MAPK1TDP1PARP10 | |
| Diphenylmethane SCHEMBL2583973 | 0.79 | CYP3A4 (0.63) | LTA4HTSHRCYP3A4SRD5A2 | |
| SCHEMBL28101747 | 0.79 | PPARG (0.42) | LTA4HTSHRCES2CES1CYP3A4 | |
| SCHEMBL4698 | 0.79 | LTA4H (0.67) | LTA4HTSHRCES2CES1NR1H2 |
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 |