Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8108217 | 1.00 | PTGS2 (0.38) | PTGS2AKR1C1LMNAHTTCYP3A4 | |
| SCHEMBL9257647 | 1.00 | PTGS2 (0.38) | PTGS2AKR1C1LMNAHTTCYP3A4 | |
| SCHEMBL4529008 | 0.84 | EPHX1 (0.40) | PTGS2LMNACYP3A4ALOX15EPHX1 | |
| SCHEMBL14968177 | 0.81 | CYP3A4 (0.51) | HTTCYP3A4ALOX15KMT2ANPSR1 | |
| SCHEMBL14968090 | 0.80 | ALDH1A1 (0.40) | PTGS2HTTCYP3A4ALOX15KMT2A | |
| SCHEMBL17599624 | 0.78 | EDNRA (0.42) | LMNAHSD11B1EDNRAKMT2AALDH1A1 | |
| SCHEMBL14967286 | 0.77 | RORC (0.39) | HTTCYP3A4ALOX15CHRM2CHRM4 | |
| SCHEMBL14967798 | 0.77 | TSHR (0.47) | HTTKMT2AALDH1A1L3MBTL1 | |
| SCHEMBL14967663 | 0.77 | CHRM3 (0.41) | PTGS2LMNAHTTCYP3A4ALOX15 | |
| SCHEMBL14968092 | 0.77 | CYP3A4 (0.38) | LMNAHTTCYP3A4ALOX15KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5574169-A | CHOLECYSTOKININ ANTAGONIST | ELI LILLY AND COMPANY (US) | 1996-11-12 | — | — | US | disclosed |
| US-5399708-A | Cholecystokinin and gastrin antagonists; gastrointestinal and central nervous system disorders | ELI LILLY AND COMPANY (US) | 1995-03-21 | — | — | US | disclosed |