Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.52 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | ME2 | P23368 | 1/20 | 0.39 |
| ▸ | ME1 | P48163 | 1/20 | 0.39 |
| ▸ | ME3 | Q16798 | 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 | |
|---|---|---|---|---|
| SCHEMBL12419722 | 0.83 | NOTUM (0.54) | CYP3A4NOTUMHRH4HRH3CA12 | |
| SCHEMBL2093736 | 0.81 | NOTUM (0.54) | CYP3A4NOTUMHRH4HRH3CA12 | |
| SCHEMBL28650484 | 0.78 | CA12 (0.65) | CYP3A4NOTUMHRH4HRH3CA12 | |
| SCHEMBL21180882 | 0.77 | ADRB1 (0.48) | AKR1C3GPR119 | |
| SCHEMBL1704614 | 0.77 | NOTUM (0.54) | CYP3A4NOTUMHRH4HRH3CA12 | |
| SCHEMBL2056103 | 0.77 | NOTUM (0.54) | CYP3A4NOTUMHRH4HRH3CA12 | |
| SCHEMBL61425 | 0.77 | NOTUM (0.58) | CYP3A4NOTUMHRH4HRH3CA12 | |
| SCHEMBL26143961 | 0.77 | MBTD1 (0.52) | CYP3A4NOTUM | |
| Hydrochloric Acid SCHEMBL5220023 | 0.76 | NOTUM (0.53) | CYP3A4NOTUMHRH4HRH3CA12 | |
| SCHEMBL4430755 | 0.76 | AKR1C3 (0.53) | CYP3A4NOTUMCA12CA2CA9 |
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-3221304-B1 | NOVEL CARBOXYLIC ACID COMPOUNDS USEFUL FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 | LILLY CO ELI (US) | 2019-07-24 | — | — | EP | disclosed |