Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | PRKCA | P17252 | 3/20 | 0.33 |
| ▸ | TAS2R46 | P59540 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5304809 | 1.00 | CA1 (0.43) | CA1CA9TSHRPOLBCYP1A2 | |
| SCHEMBL10963251 | 0.87 | TSHR (0.36) | CA1CA9TSHRPOLBTAS2R46 | |
| SCHEMBL4093121 | 0.82 | CA1 (0.38) | CA1CA9POLBCYP1A2PRKCA | |
| SCHEMBL75437 | 0.82 | CA1 (0.38) | CA1CA9POLBCYP1A2PRKCA | |
| SCHEMBL5170309 | 0.82 | CA1 (0.40) | CA1CA9TSHRCYP1A2PRKCA | |
| SCHEMBL5171201 | 0.82 | CA1 (0.40) | CA1CA9TSHRCYP1A2PRKCA | |
| SCHEMBL447330 | 0.82 | CA1 (0.40) | CA1CA9TSHRCYP1A2PRKCA | |
| SCHEMBL9041353 | 0.80 | CA1 (0.39) | CA1CA9CYP1A2PRKCA | |
| SCHEMBL10626844 | 0.80 | CA1 (0.39) | CA1CA9TSHRCYP1A2PRKCA | |
| SCHEMBL10070922 | 0.79 | CA1 (0.39) | CA1CA9CYP1A2PRKCA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001018231-A2 | METHOD FOR PRODUCING (R) OR (S)-HYDROXY-η-BUTYROLACTONE | LONZA AG (CH) | 2001-03-15 | — | — | WO | disclosed |