Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.47 |
| ▸ | TNF | P01375 | 3/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9719382 | 0.99 | TNF (0.48) | MAOACYP19A1TNFCHRM2CHRM4 | |
| SCHEMBL27640476 | 0.90 | MAOA (0.52) | MAOABCHECES1CYP1A2CYP3A4 | |
| SCHEMBL10517737 | 0.85 | CYP19A1 (0.44) | MAOACYP19A1TNFCHRM2CHRM4 | |
| SCHEMBL27640284 | 0.84 | MAOA (0.46) | MAOABCHECES1CYP1A2MIF | |
| SCHEMBL27431850 | 0.83 | KCNQ2 (0.46) | MAOACYP19A1TNFBCHECES1 | |
| SCHEMBL27640287 | 0.80 | MAOA (0.44) | MAOABCHECES1MIFMAPK1 | |
| SCHEMBL10447390 | 0.79 | MAOA (0.57) | MAOACYP19A1TNFBCHECES1 | |
| SCHEMBL28562503 | 0.78 | PNMT (0.57) | CYP19A1TNFCHRM2CHRM4CHRM5 | |
| SCHEMBL27661033 | 0.78 | CALM1 (0.45) | MAOAPKM | |
| SCHEMBL17715427 | 0.77 | MAOA (0.55) | MAOACYP19A1TNFBCHECES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115702141-A | Cyclobutyl-urea derivatives | 爱杜西亚药品有限公司 | 2023-02-14 | — | — | CN | disclosed |
| CN-115461327-A | Spiro urea derivatives | 爱杜西亚药品有限公司 | 2022-12-09 | — | — | CN | disclosed |
| CN-108884030-B | Improved labeling of nucleophiles using bipyridines | 安捷伦科技有限公司 | 2022-06-28 | — | — | CN | disclosed |