Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.34 |
| ▸ | CES1 | P23141 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28309364 | 0.89 | CES2 (0.34) | CES2CES1CA1CA2CA4 | |
| SCHEMBL28223431 | 0.87 | CES2 (0.33) | CES2CES1CA1CA2CA4 | |
| SCHEMBL11867734 | 0.85 | CES2 (0.32) | CES2CES1CA1CA2CA4 | |
| SCHEMBL5017692 | 0.85 | CES2 (0.32) | CES2CES1CA1CA2CA4 | |
| Acetic Acid SCHEMBL4207570 | 0.82 | PGR (0.32) | CES2CES1 | |
| Acetic Acid SCHEMBL2454947 | 0.82 | PGR (0.32) | CES2CES1 | |
| SCHEMBL948917 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL183739 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL11175808 | 0.80 | ANPEP (0.32) | — | |
| SCHEMBL10598401 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5776723-A | Rapid detection of mycobacterium tuberculosis | HEROLD CHRISTOPHER D (US) | 1998-07-07 | — | — | US | disclosed |