Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | FASN | P49327 | 1/20 | 0.52 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.48 |
| ▸ | WNT3A | P56704 | 1/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19391065 | 1.00 | PTGS2 (0.60) | PTGS2MAOANPC1CA12CA1 | |
| SCHEMBL7087653 | 0.87 | MAP4K4 (0.62) | PTGS2MAOANPC1CA12CA1 | |
| SCHEMBL5661439 | 0.87 | KDM4E (0.57) | PTGS2MAOAMAPTENPP2HSD17B1 | |
| SCHEMBL120471 | 0.86 | MAOA (0.66) | MAOANPC1MAPTCYP1A2CYP3A4 | |
| SCHEMBL27583671 | 0.85 | NPC1 (0.66) | PTGS2NPC1CA12CA1CA2 | |
| SCHEMBL19391117 | 0.83 | PTGS2 (0.52) | PTGS2MAOANPC1CA12CA1 | |
| SCHEMBL22220936 | 0.83 | PTGS2 (0.56) | PTGS2NPC1CA12CA1CA2 | |
| SCHEMBL7084698 | 0.83 | PTGS2 (0.56) | PTGS2MAOANPC1CA12CA1 | |
| SCHEMBL14348335 | 0.82 | PTGS2 (0.56) | PTGS2MAOANPC1CA12CA1 | |
| SCHEMBL5850255 | 0.80 | NPC1 (0.79) | PTGS2NPC1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119998272-A | Methanogen inhibitors | 阿格里泽伦茨有限合伙公司 | 2025-05-13 | — | — | CN | disclosed |