Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.48 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28019814 | 0.90 | CYP19A1 (0.50) | CA1CA2HSD11B1CYP19A1 | |
| SCHEMBL29028639 | 0.82 | CA1 (0.48) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL27734724 | 0.82 | ADRA2A (0.40) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL9047490 | 0.81 | ACHE (0.40) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL23174528 | 0.81 | CA1 (0.39) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL9521719 | 0.81 | CA1 (0.52) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL9254564 | 0.80 | CA1 (0.49) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL5175486 | 0.80 | SIGMAR1 (0.55) | CA1CA2SIGMAR1 | |
| SCHEMBL6242626 | 0.79 | MAOA (0.50) | CA1CA2SIGMAR1 | |
| SCHEMBL8858478 | 0.79 | PTGIR (0.54) | — |
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-105530923-A | Aryl ethers and their use | PELOTON THERAPEUTICS INC | 2016-04-27 | — | — | CN | disclosed |