Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.47 |
| ▸ | KIF11 | P52732 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10933682 | 0.82 | LMNA (0.46) | CA1CA2CA12MMP2 | |
| SCHEMBL10933926 | 0.80 | CA1 (0.44) | CA1CA2CA12MMP2EPHX2 | |
| SCHEMBL11424066 | 0.77 | CA12 (0.55) | CA1CA12MMP2PTGS1KIF11 | |
| SCHEMBL10932954 | 0.75 | MEN1 (0.41) | KIF11 | |
| Phosphoric Acid SCHEMBL20984637 | 0.73 | CA1 (0.58) | CA1CA2CA12MMP2EPHX2 | |
| SCHEMBL8859016 | 0.73 | MEN1 (0.45) | CA1CA2CA12PTGS1RAB9A | |
| SCHEMBL8656271 | 0.72 | CES2 (0.55) | PTGS1NPC1RAB9ATRPV1RORC | |
| SCHEMBL10937898 | 0.71 | CA2 (0.45) | CA1CA2CA12KIF11 | |
| SCHEMBL378918 | 0.70 | CA1 (0.54) | CA1CA2CA12MMP2EPHX2 | |
| SCHEMBL239971 | 0.70 | KDM4E (0.50) | CA1CA2CA12EPHX2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114957053-B | Oxoethylene compound or pharmaceutically acceptable salt thereof, preparation method and application thereof, pharmaceutical composition and application thereof | 中国医学科学院医药生物技术研究所 | 2023-12-22 | — | — | CN | disclosed |
| CN-114957053-A | Oxoethylene compound or pharmaceutically acceptable salt thereof, preparation method and application thereof, pharmaceutical composition and application thereof | 中国医学科学院医药生物技术研究所 | 2022-08-30 | — | — | CN | disclosed |