Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 3/20 | 0.49 |
| ▸ | RXRA | P19793 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 2/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | GCK | P35557 | 4/20 | 0.38 |
| ▸ | EP300 | Q09472 | 2/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8884248 | 0.84 | CYP2C9 (0.51) | XDHRXRAKMT2ARXRBRXRG | |
| SCHEMBL976853 | 0.82 | XDH (0.48) | XDHRXRAKMT2ARXRBGCK | |
| SCHEMBL8882930 | 0.82 | RXRA (0.41) | XDHRXRAKMT2ARXRBRXRG | |
| SCHEMBL8768358 | 0.81 | CA12 (0.53) | CA12CA1CA2CA3PKM | |
| SCHEMBL8875662 | 0.81 | XDH (0.51) | XDHRXRARXRBRXRGGCK | |
| SCHEMBL7359867 | 0.80 | XDH (0.46) | XDHRXRAKMT2ARXRBRXRG | |
| SCHEMBL8882657 | 0.78 | XDH (0.53) | XDHRXRAKMT2ARARBALDH1A1 | |
| SCHEMBL8881108 | 0.78 | TSHR (0.53) | RXRA | |
| SCHEMBL1421009 | 0.78 | PTGS2 (0.47) | XDHKMT2ACA12CA1CA2 | |
| SCHEMBL8882488 | 0.75 | RXRA (0.46) | RXRAKMT2AALDH1A1 |
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-5658933-A | Substituted heterocyclic carboxamide esters, their preparation and their use as pharmaceuticals | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-08-19 | — | — | US | disclosed |